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3,4-Dichlorobenzotrifluoride

CAS：328-84-7
MW:214.99993
MF：C7H3Cl2F3

3,4-Dichlorobenzotrifluoride, with the chemical formula C7H3Cl2F3 and CAS registry number 328-84-7, is a compound known for its applications as a solvent and intermediate in the production of various chemicals. This colorless liquid, also referred to as DCBTF, is characterized by its dichloro and trifluoromethyl functional groups. It is commonly used in the manufacturing of pharmaceuticals, agrochemicals, and polymers. 3,4-Dichlorobenzotrifluoride exhibits low volatility and high chemical stability, making it suitable for use in high-temperature reactions and as a solvent for paints and coatings. It is also used as a raw material in the production of dyes and pigments. However, it is important to handle this compound with caution due to its potential health hazards and environmental impact. Overall, 3,4-Dichlorobenzotrifluoride plays a crucial role in various industrial processes, contributing to the development of diverse products and materials.

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

1. Names and Identifiers

1.1 Name: 3,4-Dichlorobenzotrifluoride

1.2 Synonyms: (3,4-Dichlorophenyl)trifluoromethane; 1-(Trifluoromethyl)-3,4-dichlorobenzene; 1,2-Dichloro-4-(trifluoromethyl)benzene; 1,2-Dichloro-4-(trifluoromethyl)benzene, 3,4-Dichloro-alpha,alpha,alpha-trifluorotoluene; 1,2-Dichloro-5-(trifluoromethyl)benzene; 1-Trifluoromethyl-3,4-dichlorobenzene; 3,4-dichlo; 3,4-Dichlor-alpha,alpha,alpha-trifluortoluol; 3,4-Dichloro(trifluoromethyl)benzene; 3,4-Dichloro-1-(trifluoromethyl)benzene; 3,4-Dichloro-α,α,α-trifluorotoluene; 4-(Trifluoromethyl)-1,2-dichlorobenzene; Benzene, 1,2-dichloro-4-(trifluoromethyl)-; Oxsol 1000; Toluene, 3,4-dichloro-α,α,α-trifluoro-;

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1.3 CAS No.: 328-84-7

1.4 CID: 9481

1.5 EINECS: 206-337-1

1.6 Molecular Formula: C7H3Cl2F3

1.7 Inchi: InChI=1S/C7H3Cl2F3/c8-5-2-1-4(3-6(5)9)7(10,11)12/h1-3H

1.8 InChkey: XILPLWOGHPSJBK-UHFFFAOYSA-N

1.9 Canonical Smiles: C1=CC(=C(C=C1C(F)(F)F)Cl)Cl

1.10 Isomers Smiles: C1=CC(=C(C=C1C(F)(F)F)Cl)Cl

2. Properties

2.1 Solubility: 2.5 mg/100 ml

2.2 Appearance: colorless to pale yellow liquid

2.3 Storage: Ambient temperatures.

2.4 Chemical Properties: CLEAR COLOURLESS TO SLIGHTLY YELLOW LIQUID

2.5 Color/Form: Clear, colorless liquid

2.6 Odor: Aromatic

2.7 Water Solubility: 2.5 mg/100 ml

2.8 Spectral Properties: Index of refraction (for sodium D line @ 20 deg C) = 1.4750

2.9 StorageTemp: Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

3. Use and Manufacturing

3.1 Description

3,4-Dichlorobenzotrifluoride, with the chemical formula C7H3Cl2F3, has the CAS number 328-84-7. It is a colorless liquid with a sweet, aromatic odor. The basic structure of 3,4-Dichlorobenzotrifluoride consists of three fluorine atoms attached to a benzene ring, with two chlorine atoms attached to different carbon atoms on the ring. This compound is sparingly soluble in water. It is important to handle 3,4-Dichlorobenzotrifluoride with caution as it may cause irritation to the skin and eyes. Ingestion or inhalation of this chemical can lead to health issues. When exposed to high temperatures, 3,4-Dichlorobenzotrifluoride may emit toxic fumes. It is considered hazardous to the environment and steps should be taken to prevent its spread into the environment, as it can contaminate soil and water sources.

Applicable Fields

Solvent: 3,4-Dichlorobenzotrifluoride is commonly used as a solvent in various industries. Its purpose in this field is to dissolve or disperse other substances, making it easier to mix or extract desired components. The mechanism of action as a solvent involves its ability to interact with different types of molecules, allowing for efficient dissolution or dispersion.

Chemical Synthesis: This compound is also utilized in chemical synthesis processes. It can be used as a reagent or starting material in the production of various chemicals. The mechanism of action in chemical synthesis involves its participation in reactions, leading to the formation of desired products.

Storage

Conditions: Store in a cool and dry place.

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3.2 Usage: Intermediate for insecticides and herbicides.

4. Safety and Handling

4.1 Other Preventative Measures: Potential exposures are minimized by the use of closed process equipment.
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 Protective Equipment and Clothing: Liquid in contact with the eyes or skin will be slightly irritating.

4.4 Reactivities and Incompatibilities: Will react with strong oxidizing agents and strong alkalis.

4.5 Skin, Eye, and Respiratory Irritations: Liquid in contact with the eyes or skin will be slightly irritating.

4.6 Safety: Hazard Codes:? Xi,? C
Hazard Note:Irritant
HazardClass:8
The Risk Statements information of? 3,4-Dichlorobenzotrifluoride：
34:? Causes burns?
36/37/38:? Irritating to eyes, respiratory system and skin?
The Safety Statements information of? 3,4-Dichlorobenzotrifluoride：
26:? In case of contact with eyes, rinse immediately with plenty of water and seek medical advice?
45:? In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)??
36/37/39:? Wear suitable protective clothing, gloves and eye/face protection?
RIDADR: 1760
WGK Germany: 2
RTECS: CZ5527510

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4.7 Specification: Chemical Stability: Not available
Conditions to Avoid: Incompatible materials.
Incompatibilities with Other Materials Strong oxidizing agents, strong reducing agents, strong bases.
Hazardous Decomposition Products Hydrogen chloride, carbon monoxide, carbon dioxide, hydrogen fluoride gas.
Hazardous Polymerization Has not been reported.
?

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4.8 Toxicity: RTECS#: CAS# 328-84-7: CZ5527510
LD50/LC50: RTECS:
CAS# 328-84-7: Oral, rat: LD50 = 1960 uL/kg;
Skin, rabbit: LD50 = >5 gm/kg;
Carcinogenicity: 3,4-Dichlorobenzotrifluoride - Not listed as a carcinogen by ACGIH, IARC, NTP, or CA Prop 65.
Other: See actual entry in RTECS for complete information. The toxicological properties have not been fully investigated.
?

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5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	No signal word.
Hazard statement(s)	H411 Toxic to aquatic life with long lasting effects
Precautionary statement(s)
Prevention	P273 Avoid release to the environment.
Response	P391 Collect spillage.
Storage	none
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 : in CDCl3

1H NMR : 400 MHz in CDCl3

IR : liquid film

Raman : 4880 A,200 M,liquid

Mass

Mass spectrum (electron ionization)

7. Synthesis Route

328-84-7Total: 24 Synthesis Route

98-56-6 209 Suppliers

328-84-7 229 Suppliers

98-08-8 100 Suppliers

328-84-7 229 Suppliers

98-15-7 102 Suppliers

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8. Precursor and Product

precursor:

98-08-8

98-56-6

98-15-7

product:

50594-44-0

75795-07-2

50594-46-2

657-02-3

50594-75-7

42874-63-5

86398-98-3

455-86-7

50594-77-9

39885-50-2

9. Computed Properties

Molecular Weight：214.99993g/mol
Molecular Formula：C₇H₃Cl₂F₃
Compound Is Canonicalized：True
XLogP3-AA：213.9563900
Monoisotopic Mass：213.9563900
Complexity：157
Rotatable Bond Count：0
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：3
Topological Polar Surface Area：0
Heavy Atom Count：：12
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：AAADcQBgAYAGAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGQIAAAAADAKAGDAwAIAAAACAAiBCAAACAAAgBQAIikAAAogIICKBExCAIAAggAAIiAcAgAAOBAAAIAAAAAQIAABAAAAACAAAAAAAAA==

10. Toltal 215 Suppliers View more

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Factory Supply 3,4-dichloro-α,α,α-trifluorotoluene

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11. Related Questions

: What is the synthesis route of 3,4-3,4-Dichlorobenzotrifluoride?Introduction 3,4-3,4-Dichlorobenzotrifluoride is an important intermediate in organic synthesis, widely used in the synthesis of pesticide products, as well as in the pharmaceutical and fine chemical ..

12. Realated Product Infomation