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2,6-Dichlorobenzal chloride structure

2,6-Dichlorobenzal chloride
  • CAS：81-19-6
  • MW:229.909
  • MF：C7H4Cl4
Colorless liquid.
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1. Names and Identifiers
1.1 Name
2,6-Dichlorobenzal chloride
1.2 Synonyms
|A,|A-2,6-tetrachlorotoluene; 1,3-Dichlor-2-dichlormethyl-benzol; 1,3-dichloro-2-dichloromethyl-benzene; 1,3-Dichloro-2-dichloromethylbenzene, 2,6-Dichlorobenzal chloride; 2,4-HEXADIYNE-1,6-DIOL; 2,6,a,a-Tetrachlorotoluene.; 2,6-Dichlorobenzylidene chloride; A,A,2,6-TETRACHLOROTOLUENE; ALPHA,ALPHA,2,6-TETRACHLOROTOLUENE; Benzene, 1,3-dichloro-2-(dichloromethyl)-; Benzene, 2,6-dichloro-1-(dichloromethyl); EINECS 201-332-0; MFCD00016349; Toluene, alpha,alpha2,6-tetrachloro-;
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1.3 CAS No.
81-19-6
1.4 CID
6671
1.5 EINECS
201-332-0
1.6 Molecular Formula
C7H4Cl4
1.7 Inchi
InChI=1S/C7H4Cl4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,7H
1.8 InChkey
QQPXXHAEIGVZKQ-UHFFFAOYSA-N
1.9 Canonical Smiles
C1=CC(=C(C(=C1)Cl)C(Cl)Cl)Cl
1.10 Isomers Smiles
C1=CC(=C(C(=C1)Cl)C(Cl)Cl)Cl
2. Properties
2.1 Chemical Properties
clear yellow liquid
2.2 Physical
ALPHA,ALPHA,2,6-TETRACHLOROTOLUENE; is a colorless liquid.
3. Use and Manufacturing
3.1 Description
2,6-Dichlorobenzal chloride (CAS 81-19-6) is a chemical compound that appears as a colorless to pale yellow liquid. Its basic structure consists of a benzene ring with two chlorine atoms and a benzaldehyde group attached. This compound is sparingly soluble in water, but it can dissolve in organic solvents such as ethanol and acetone. It has a strong odor and is highly reactive.

Applicable Fields
2,6-Dichlorobenzal chloride has various applications in different fields:

Agrochemicals: In the field of agrochemicals, this chemical is used as an intermediate in the synthesis of herbicides, insecticides, and fungicides. It acts as a building block for the production of these agricultural chemicals, which help control pests and diseases in crops.

Pharmaceuticals: 2,6-Dichlorobenzal chloride is also utilized in the pharmaceutical industry. It serves as a starting material for the synthesis of various pharmaceutical compounds, including antihistamines, antifungal agents, and anti-inflammatory drugs. Its reactivity and ability to introduce specific functional groups make it valuable in pharmaceutical synthesis.

Chemical Research: This compound is commonly used in chemical research laboratories as a reagent or intermediate. It can undergo various reactions, such as nucleophilic substitution and condensation reactions, to form new compounds. Its versatility and reactivity make it a valuable tool for organic synthesis.

Storage Conditions
Store in a cool, dry place.
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3.2 General Description
Colorless liquid.
3.3 GHS Classification
Signal: Danger
GHS Hazard Statements
Aggregated GHS information provided by 28 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

H314 (85.71%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H319 (14.29%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (14.29%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
H400 (82.14%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.

Precautionary Statement Codes
P260, P261, P264, P271, P273, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P337+P313, P363, P391, P403+P233, P405, and P501
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4. Safety and Handling
4.1 Safety

Safety Information of 2,6-Dichlorobenzal chloride (CAS NO.81-19-6):
Hazard Codes: CorrosiveC,DangerousN
Risk Statements: 34-50/53-20/22 
R34:Causes burns. 
R50/53:Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. 
R20/22:Harmful by inhalation and if swallowed.
Safety Statements: 26-36/37/39-45-60-61 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) 
S60:This material and its container must be disposed of as hazardous waste. 
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
RIDADR: UN 3265 8/PG 2
WGK Germany: 3
HazardClass: 8
PackingGroup: III

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4.2 Specification

 2,6-Dichlorobenzal chloride (CAS NO.81-19-6), its Synonyms are alpha,alpha2,6-Tetrachlorotoluene ; 2,6-Dichlorobenzylidene chloride ; Benzene, 1,3-dichloro-2-(dichloromethyl)- ; Toluene, alpha,alpha2,6-tetrachloro- (8CI) .
 2,6-Dichlorobenzal chloride is simple aromatic halogenated organic compounds. It is very unreactive.Its reactivity generally decreases with increased degree of substitution of halogen for hydrogen atoms.

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5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity – single exposure, Category 3

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

H410 Very toxic to aquatic life with long lasting effects
Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

P273 Avoid release to the environment.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/…if you feel unwell.

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P321 Specific treatment (see ... on this label).

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P312 Call a POISON CENTER/doctor/…if you feel unwell.

P391 Collect spillage.

Storage

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  
7. Synthesis Route
81-19-6Total: 2 Synthesis Route
 
83-38-5
83-38-5 223 Suppliers
 
81-19-6
81-19-6 22 Suppliers
 
118-69-4
118-69-4 78 Suppliers
 
81-19-6
81-19-6 22 Suppliers
8. Precursor and Product
precursor:
118-69-4
118-69-4
83-38-5
83-38-5
product:
15258-73-8
15258-73-8
83-38-5
83-38-5
10541-71-6
10541-71-6
9. Computed Properties
  • Molecular Weight：229.909g/mol
  • Molecular Formula：C7H4Cl4
  • Compound Is Canonicalized：True
  • Exact Mass：4.3
  • XLogP3-AA：229.903761
  • Monoisotopic Mass：227.906711
  • Complexity：116
  • Rotatable Bond Count：1
  • Hydrogen Bond Donor Count：0
  • Hydrogen Bond Acceptor Count：0
  • Topological Polar Surface Area：0
  • Heavy Atom Count：：11
  • 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：AAADcYBgAAAHAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGAIAAAAADAOAGOAwAIAAAACAAiBCAAACAAAgBQAIiAAAAogIICKBExCAIAAggAAIiAcAgAAOAAAAAACBAAAAAAAAAQIAAAAAAAAAAA==
10.Other Information
Chemical Properties
clear yellow liquid
General Description
Colorless liquid.
Air & Water Reactions
Insoluble in water.
Reactivity Profile
Simple aromatic halogenated organic compounds, such as 2,6-Dichlorobenzal chloride, are very unreactive. Reactivity generally decreases with increased degree of substitution of halogen for hydrogen atoms. Materials in this group may be incompatible with strong oxidizing and reducing agents. Also, they may be incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides.
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11. Toltal 21 Suppliers View more
Factory supply 1,3-dichloro-2-(dichloromethyl)benzene CAS 81-19-6 from China
Hebei Crovell Biotech Co. Ltd
 1YR   China
Tel: Update Time:2024/11/15
inquire
Factory Supply α,α,2,6-tetrachlorotoluene
Amitychem Corporation
 1YR   China
Tel: Update Time:2023/06/28
inquire
2,6-Dichlorobenzal chloride
Henan Tianfu Chemical Co.,Ltd
 1YR   China
Tel: Update Time:2024/11/15
inquire
2,6-Dichlorobenzal chloride
Hangzhou KieRay Chem Co., Ltd.
 1YR   China
Tel: Update Time:2024/05/22
inquire
Factory supply 1,3-dichloro-2-(dichloromethyl)benzene CAS 81-19-6 from China
Hebei Bocao Biological Technology Co., Ltd
  China
Tel: Update Time:2023/04/17
inquire
12. Realated Product Infomation
 
1. Names and Identifiers
2. Properties
3. Use and Manufacturing
4. Safety and Handling
5. Msds
6. NMR Spectrum
7. Synthesis Route
8. Precursor and Product
9. Computational chemical data
10. Other Information
11. Toltal 21 Suppliers
12. Realated Product Infomation
 
 
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