1,3-dichloro-2-methylbenzene

Basic Information

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CAS Number

118-69-4

Molecular Formula

C7H6Cl2

Molecular Weight

161.03 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

2 ºC

Boiling Point

198°C

Water Solubility

24 mg/L (20 ºC)

Solubility

26mg/l insoluble

Refractive Index

n20/D 1.550(lit.)

SMILES

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CC1=C(C=CC=C1Cl)Cl

InChI

InChI=1S/C7H6Cl2/c1-5-6(8)3-2-4-7(5)9/h2-4H,1H3

InChIKey

DMEDNTFWIHCBRK-UHFFFAOYSA-N

LogP

3.301820000000001

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

82.9

Safety Information

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GHS Hazard Pictograms

H302

H315

H318

H335

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H318 Causes serious eye damage
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class Comb liq Class Comb liq

Synonyms & References

English

1,3-dichloro-2-methyl-benzene
AKOS009158798
NSC 60722
EN300-30895
EC 204-269-7
Z317043666
DTXCID1020697
InChI=1/C7H6Cl2/c1-5-6(8)3-2-4-7(5)9/h2-4H,1H
HSDB 4020
UNII-RVM09757WW
2,6-DICHLOROTOLUENE
Q27288309
D0422
CHEMBL3182206
FT-0610637
RVM09757WW
NCGC00255492-01
2,6-Dichlorotoluene, >=99%
Toluene,6-dichloro-
AM20050049
MFCD00000576
A804075
Benzene, 1,3-dichloro-2-methyl-
118-69-4
1,3-Dichloro-2-methylbenzene
Tox21_302049
AI3-26487
DTXSID3040697
NSC60722
2,6-Dichlorotoluene, analytical standard
Toluene, 2,6-dichloro-

MDL Number

MFCD00000576

Customs Code

2903999090

FAQ

What are the physical and chemical properties of 1,3-dichloro-2-methylbenzene (CAS: 118-69-4)?

1,3-Dichloro-2-methylbenzene (CAS: 118-69-4) is a yellow or amber liquid with a molecular weight of approximately 162.02 g/mol. It has a low solubility in water (less than 1 g/L) but is more soluble in organic solvents such as ethanol and acetone. Chemically, it is relatively stable but can react with reducing agents and bases under certain conditions. It is not highly reactive but should be handled with care due to its halogen content.

How is 1,3-dichloro-2-methylbenzene (CAS: 118-69-4) typically synthesized?

1,3-Dichloro-2-methylbenzene (CAS: 118-69-4) is commonly synthesized via the Friedel-Crafts chlorination of 2-methylbenzene (toluene) with chlorine gas in the presence of aluminum chloride as a catalyst. This process typically yields high selectivity, with a good overall yield of the desired product.

What industries use 1,3-dichloro-2-methylbenzene (CAS: 118-69-4)?

1,3-Dichloro-2-methylbenzene (CAS: 118-69-4) is used in the pharmaceutical industry as an intermediate for the synthesis of certain drugs. It is also utilized in the production of dyes and pigments, as well as in the manufacturing of some polymers and resins. Its applications extend to the electronics industry, where it is used in the production of semiconductors and sensors.

What precautions should be taken when handling 1,3-dichloro-2-methylbenzene (CAS: 118-69-4)?

When handling 1,3-dichloro-2-methylbenzene (CAS: 118-69-4), it is important to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up immediately using appropriate absorbent materials, and the area should be thoroughly cleaned. In case of exposure, seek medical attention. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information.