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2,3-Dichloropropene

CAS：78-88-6
MW:110.965
MF：C3H4Cl2

Colorless to yellow liquid with an odor of chloroform. Sinks in water. Produces irritating vapor.

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Names and ldentifier
Properties
Use and Manufacturing
Safety and Handling
Msds
NMR Spectrum
Other Information
Computational chemical data
Related Questions
Realated Product Infomation

1. Names and Identifiers

1.1 Name: 2,3-Dichloropropene

1.2 Synonyms: 1-Propene, 2,3-dichloro-; 2,3-DICHLORO PROPPENE; 2,3-Dichloro-1-propene; 2,3-Dichloropropylene; 2-Chloro-2-propenyl chloride; 2-Chloroallyl Chloride; HCO 125OXF; NSC 60520; nsc60520; Propene, 2,3-dichloro-; propylene,2,3-dichloro;

1.3 CAS No.: 78-88-6

1.4 CID: 6565

1.5 EINECS: 201-153-8

1.6 Molecular Formula: C3H4Cl2

1.7 Inchi: InChI=1S/C3H4Cl2/c1-3(5)2-4/h1-2H2

1.8 InChkey: FALCMQXTWHPRIH-UHFFFAOYSA-N

1.9 Canonical Smiles: C=C(CCl)Cl

1.10 Isomers Smiles: C=C(CCl)Cl

2. Properties

2.1 Vapour pressure: 3.8 (air= 1)

2.2 Solubility: 2.2g/l

2.3 VaporDensity: 3.8 (air= 1)

2.4 AnalyticLaboratory Methods: EPA Method 8240. Gas Chromatography/Mass Spectrometry for the determination of volatile organics. This method can be used to quantify most volatile organic compounds including trans-1,3-dichloropropene; that have boiling points below 200 deg C and are insoluble or slightly soluble in water;. The detection limit is not given. The Practical Quantitation Limit for trans-1,3-dichloropropene; 5 ug/l in ground water; and 5 ug/kg in low soil/sediment. Precision and method accuracy were found to be directly related to the concentration of the analyte and essentially independent of the sample matrix. /trans-1,3-Dichloropropene;/

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2.5 Appearance: Colorless or light yellow clear liquid

2.6 AutoIgnition: 1035° F (NTP, 1992)

2.7 Storage: Ambient temperatures.

2.8 Chemical Properties: clear colorless to pink-brownish liquid

2.9 Color/Form: Straw-colored liquid
Colorless to yellow

2.10 Decomposition: When heated to decomposition it emits toxic fumes of /hydrogen chloride;/.

2.11 Heat of Combustion: -3900 cal/g

2.12 Heat of Vaporization: 76.1 cal/g

2.13 Odor: Pungent

2.14 Physical: 2,3-DICHLOROPROPENE; is a colorless to yellow liquid with an odor of chloroform;. Sinks in water;. Produces irritating vapor. (USCG, 1999)

2.15 Water Solubility: <0.1 g/100 mL at 22 oC

2.16 Spectral Properties: Index of refraction: 1.4603 @ 20 deg C
IR: 13904 (Sadtler Research Laboratories Prism Collection)
NMR: 18 (Varian Associates NMR Spectra Catalogue)
MASS: 345 (Atlas of Mass Spectral Data, John Wiley & Sons, New York)
MASS: NIST 1549 (NIST/EPA/MCDC Mass Spectral Database 1990 version); WILEY 346 (Atlas of Mass Spectral Data, John Wiley & Sons, New York)

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2.17 Stability: Stable under normal temperatures and pressures.

2.18 StorageTemp: 2-8°C

2.19 Surface Tension: 29.9 dynes/cm @ 20 deg C

3. Use and Manufacturing

3.1 Description: 2,3-Dichloropropene (CAS 78-88-6) is a colorless liquid with a strong, sweet odor. It has a basic structure consisting of two chlorine atoms attached to a propene molecule. This chemical is sparingly soluble in water, but it can dissolve in organic solvents such as ethanol and ether. It has a boiling point of 110-112 degrees Celsius and a melting point of -90 degrees Celsius. 2,3-Dichloropropene is highly flammable and may react violently with oxidizing agents.

Applicable Fields
Agriculture: 2,3-Dichloropropene is commonly used as a soil fumigant in agriculture. Its mechanism of action involves releasing toxic gases that kill pests, nematodes, and weeds in the soil. It helps to control soil-borne diseases and improve crop yields.

Storage Conditions
Store in a cool, dry place.

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3.2 General Description: Colorless to yellow liquid with an odor of chloroform. Sinks in water. Produces irritating vapor.

3.3 GHS Classification: Signal: Danger
GHS Hazard Statements
H225: Highly Flammable liquid and vapor [Danger Flammable liquids]
H302: Harmful if swallowed [Warning Acute toxicity, oral]
H312: Harmful in contact with skin [Warning Acute toxicity, dermal]
H315: Causes skin irritation [Warning Skin corrosion/irritation]
H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]
H332: Harmful if inhaled [Warning Acute toxicity, inhalation]
H335: May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
H341: Suspected of causing genetic defects [Warning Germ cell mutagenicity]
H412: Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statement Codes
P201, P202, P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P273, P280, P281, P301+P312, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P308+P313, P310, P312, P321, P322, P330, P332+P313, P362, P363, P370+P378, P403+P233, P403+P235, P405, and P501

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3.4 Methods of Manufacturing: Chlorination of propylene; (by-product in allyl chloride; synthesis); by treatment of 1,2,3-trichloropropane; with alkali; by chlorination of 2-chloro-1-propane.

4. Safety and Handling

4.1 Other Preventative Measures: SRP: Contaminated protective clothing should be segregated in such a manner so that there is no direct personal contact by personnel who handle, dispose, or clean the clothing. Quality assurance to ascertain the completeness of the cleaning procedures should be implemented before the decontaminated protective clothing is returned for reuse by the workers. Contaminated clothing should not be taken home at end of shift, but should remain at employee's place of work for cleaning.
SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.

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4.2 DisposalMethods: SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

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4.3 DOT Emergency Guidelines: /GUIDE 129: FLAMMABLE LIQUIDS (POLAR/WATER-MISCIBLE/NOXIOUS)/ Fire or Explosion: HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Those substances designated with "P" may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water. /Dichloropropenes/
/GUIDE 129: FLAMMABLE LIQUIDS (POLAR/WATER-MISCIBLE/NOXIOUS)/ Health: May cause toxic effects if inhaled or absorbed through skin. Inhalation or contact with material may irritate or burn skin and eyes. Fire will produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution. /Dichloropropenes/
/GUIDE 129: FLAMMABLE LIQUIDS (POLAR/WATER-MISCIBLE/NOXIOUS)/ Public Safety: CALL Emergency Response Telephone Number ... . As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. Ventilate closed spaces before entering. /Dichloropropenes/
/GUIDE 129: FLAMMABLE LIQUIDS (POLAR/WATER-MISCIBLE/NOXIOUS)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Structural firefighters' protective clothing will only provide limited protection. /Dichloropropenes/
/GUIDE 129: FLAMMABLE LIQUIDS (POLAR/WATER-MISCIBLE/NOXIOUS)/ Evacuation: Large spill: Consider initial downwind evacuation for at least 300 meters (1000 feet). Fire: If tank, rail car or tank truck is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. /Dichloropropenes/
/GUIDE 129: FLAMMABLE LIQUIDS (POLAR/WATER-MISCIBLE/NOXIOUS)/ Fire: Caution: All these products have a very low flash point: Use of water spray when fighting fire may be inefficient. Small fires: Dry chemical, CO2, water spray or alcohol-resistant foam. Do not use dry chemical extinguishers to control fires involving nitromethane or nitroethane. Large fires: Water spray, fog or alcohol-resistant foam. Do not use straight streams. Move containers from fire area if you can do it without risk. Fire involving tanks or car/trailer loads: Fight fire from maximum distance or use unmanned hose holders or monitor nozzles. Cool containers with flooding quantities of water until well after fire is out. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks engulfed in fire. For massive fire, use unmanned hose holders or monitor nozzles; if this is impossible, withdraw from area and let fire burn. /Dichloropropenes/
/GUIDE 129: FLAMMABLE LIQUIDS (POLAR/WATER-MISCIBLE/NOXIOUS)/ Spill or Leak: ELIMINATE all ignition sources (no smoking, flares, sparks or flames in immediate area). All equipment used when handling the product must be grounded. Do not touch or walk through spilled material. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. A vapor suppressing foam may be used to reduce vapors. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. Use clean non-sparking tools to collect absorbed material. Large spills: Dike far ahead of liquid spill for later disposal. Water spray may reduce vapor; but may not prevent ignition in closed spaces. /Dichloropropenes/
/GUIDE 129: FLAMMABLE LIQUIDS (POLAR/WATER-MISCIBLE/NOXIOUS)/ First Aid: Move victim to fresh air. Call 911 or emergency medical service. Give artificial respiration if victim is not breathing. Administer oxygen if breathing is difficult. Remove and isolate contaminated clothing and shoes. In case of contact with substance, immediately flush skin or eyes with running water for at least 20 minutes. Wash skin with soap and water. Keep victim warm and quiet. In case of burns, immediately cool affected skin for as long as possible with cold water. Do not remove clothing if adhering to skin. Effects of exposure (inhalation, ingestion or skin contact) to substance may be delayed. Ensure that medical personnel are aware of the material(s) involved and take precautions to protect themselves. /Dichloropropenes/

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4.4 Fire Fighting Procedures: Fire extinguishing agents: small fires: dry chemical or carbon dioxide. Large fires: water fog or spray, or foam.

4.5 FirePotential: Flammable
A very dangerous fire hazard when exposed to heat, flame, or oxidizers.

4.6 Safety Profile: Poison by ingestion. Moderately toxic by inhalation and skin contact. Human mutation data reported. A severe skin irritant. A very dangerous fire hazard when exposed to heat, flame, or oxidizers. When heated to decomposition it emits toxic fumes of Cl-. See also CHLORINATED HYDROCARBONS, ALIPHATIC . 2,3-Dichloropropene Preparation Products And Raw materials Preparation Products

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4.7 Formulations/Preparations: 2,3-Dichloro-1-propene is a minor component (5%) of the commercial prepn Telone. [De Lorenzo F et al; Cancer Res 37: 1915-7 (1977)] PubMed Abstract

4.8 Protective Equipment and Clothing: IRRITATION OF EYES & UPPER RESP MUCOSA APPEARS PROMPTLY AFTER EXPOSURE TO CONCN VAPORS. LACRIMATION IS PROMINENT. ... SEVERE SKIN IRRITATION WITH MARKED INFLAMMATORY RESPONSE OF EPIDERMIS & UNDERLYING TISSUES /FROM DERMAL EXPOSURES/. /DICHLOROPROPENES/
/Vapor is/ irritating to eyes, nose, and throat.

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4.9 Skin, Eye, and Respiratory Irritations: IRRITATION OF EYES & UPPER RESP MUCOSA APPEARS PROMPTLY AFTER EXPOSURE TO CONCN VAPORS. LACRIMATION IS PROMINENT. ... SEVERE SKIN IRRITATION WITH MARKED INFLAMMATORY RESPONSE OF EPIDERMIS & UNDERLYING TISSUES /FROM DERMAL EXPOSURES/. /DICHLOROPROPENES/
/Vapor is/ irritating to eyes, nose, and throat.

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4.10 Safety: Hazard Codes:F,Xn,Xi
Risk Statements:11-20/21/22-37/38-41-52/53-68-40
11:Highly Flammable
20/21/22:Harmful by inhalation, in contact with skin and if swallowed
37/38:Irritating to eyes, respiratory system and skin
41:Risk of serious damage to eyes
52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment
68:Possible risk of irreversible effects
40:Limited evidence of a carcinogenic effect
Safety Statements:9-16-23-26-36/37/39-61
9:Keep container in a well-ventilated place
16:Keep away from sources of ignition - No smoking
23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer)
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36/37/39:Wear suitable protective clothing, gloves and eye/face protection
61:Avoid release to the environment. Refer to special instructions safety data sheet
RIDADR:UN 2047 3/PG 2
WGK Germany:3
HazardClass:3
PackingGroup:II
Hazard Note:Irritant/Highly Flammable
HS Code:29032900
Hazardous Substances Data:78-88-6(Hazardous Substances Data)

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4.11 Specification: clear colorless to pink-brownish liquid
Safety Statements:9-16-23-26-36/37/39-61
9:Keep container in a well-ventilated place
16:Keep away from sources of ignition - No smoking
23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer)
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36/37/39:Wear suitable protective clothing, gloves and eye/face protection
61:Avoid release to the environment. Refer to special instructions safety data sheet

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4.12 Toxicity: INHALATION: Vapors are poisonous, painful and irritating. Headache and dizziness may occur. Overexposure may cause liver and kidney damage and even death. EYES: Irritation and lacrimation. May cause transient corneal injury. SKIN: Slight irritation, readily absorbed in toxic amounts causing headache and dizziness and other systematic symptoms. INGESTION: Acute gastrointestinal distress with pulmonary congestion and edema. CNS Depression.

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5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Flammable liquids, Category 2

Acute toxicity - Oral, Category 4

Acute toxicity - Dermal, Category 4

Skin irritation, Category 2

Serious eye damage, Category 1

Acute toxicity - Inhalation, Category 4

Specific target organ toxicity \u2013 single exposure, Category 3

Germ cell mutagenicity, Category 2

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Danger
Hazard statement(s)	H225 Highly flammable liquid and vapour H302 Harmful if swallowed H312 Harmful in contact with skin H315 Causes skin irritation H318 Causes serious eye damage H332 Harmful if inhaled H335 May cause respiratory irritation H341 Suspected of causing genetic defects H412 Harmful to aquatic life with long lasting effects
Precautionary statement(s)
Prevention	P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking. P233 Keep container tightly closed. P240 Ground and bond container and receiving equipment. P241 Use explosion-proof [electrical/ventilating/lighting/...] equipment. P242 Use non-sparking tools. P243 Take action to prevent static discharges. P280 Wear protective gloves/protective clothing/eye protection/face protection. P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P271 Use only outdoors or in a well-ventilated area. P201 Obtain special instructions before use. P202 Do not handle until all safety precautions have been read and understood. P273 Avoid release to the environment.
Response	P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower]. P370+P378 In case of fire: Use ... to extinguish. P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell. P330 Rinse mouth. P302+P352 IF ON SKIN: Wash with plenty of water/... P312 Call a POISON CENTER/doctor/\u2026if you feel unwell. P321 Specific treatment (see ... on this label). P362+P364 Take off contaminated clothing and wash it before reuse. P332+P313 If skin irritation occurs: Get medical advice/attention. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P310 Immediately call a POISON CENTER/doctor/\u2026 P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P308+P313 IF exposed or concerned: Get medical advice/ attention.
Storage	P403+P235 Store in a well-ventilated place. Keep cool. P403+P233 Store in a well-ventilated place. Keep container tightly closed. P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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6. NMR Spectrum

13C NMR : Predict

1H NMR : Predict

Predict 1H proton NMR

Mass spectrum (electron ionization)

7. Synthesis Route

78-88-6Total: 19 Synthesis Route

96-18-4 48 Suppliers

78-88-6 72 Suppliers

96-18-4 48 Suppliers

78-88-6 72 Suppliers

542-75-6 77 Suppliers

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8. Precursor and Product

precursor:

96-18-4

187737-37-7

624-65-7

2088-35-9

557-98-2

product:

4162-62-3

31230-17-8

420-99-5

7126-16-1

463-49-0

55947-45-0

4860-96-2

5976-47-6

74-99-7

420-97-3

9. Computed Properties

Molecular Weight：110.965g/mol
Molecular Formula：C₃H₄Cl₂
Compound Is Canonicalized：True
Exact Mass：1.9
XLogP3-AA：109.9690055
Monoisotopic Mass：109.9690055
Complexity：40.2
Rotatable Bond Count：1
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：0
Topological Polar Surface Area：0
Heavy Atom Count：：5
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADcYBAAAAGAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAIAAAAACAOAAEAAAAAAAACAAABCAAAAAAAAAAAAAEAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

10.Other Information

Usage: It is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.

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Wuhan Fortuna Chemical Co., Ltd.

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12. Related Questions

: How to Improve the Production Process of 2,3-Dichloropropene?2,3-Dichloropropene is an intermediate used for the production of pesticides such as gibberellin and thiacloprid. Currently, the production process of 2,3-Dichloropropene uses 1,2,3-trichloropropane a..

13. Realated Product Infomation