1-Chloro-2-methyl-3-nitrobenzene

Basic Information

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CAS Number

83-42-1

Molecular Formula

C7H6ClNO2

Molecular Weight

171.58 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

34-36 °C

Boiling Point

241°C

Density

1.3246 (rough estimate)

Water Solubility

92 mg/L (20 ºC)

Solubility

0.092g/l

Refractive Index

1.5377 (estimate)

Vapor Pressure

0.1±0.5 mmHg at 25°C

SMILES

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CC1=C(C=CC=C1Cl)[N+](=O)[O-]

InChI

InChI=1S/C7H6ClNO2/c1-5-6(8)3-2-4-7(5)9(10)11/h2-4H,1H3

InChIKey

XCSNRORTQRKCHB-UHFFFAOYSA-N

LogP

3.07980

Complexity

157

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

Toluene, 2-chloro-6-nitro-
6-Chloro-2-nitrotoluene
EPA Pesticide Chemical Code 019001
AKOS040744564
2-chloro-6-nitro-toluene
InChI=1/C7H6ClNO2/c1-5-6(8)3-2-4-7(5)9(10)11/h2-4H,1H
CS-W017644
F8889-5202
EN300-20451
SCHEMBL700473
AM20080939
2-CHLORO-6-NITROTOLUENE
2-chlor-6-nitrotoluen
UNII-WEZ013857X
Caswell No. 202
Tox21_300660
DTXSID1041263
AKOS009031519
FT-0611891
WEZ013857X
AI3-00485
CHEBI:142281
CHEMBL3182075
6,2-Chloronitrotoluene
NCGC00248131-01
2-chloro-6-nitro toluene
DTXCID9021263
2-Chloro-6-nitrotoluene, 99%
BRN 1239924
NCGC00254568-01
Q27292597

MDL Number

MFCD00007205

Customs Code

2904909090

FAQ

What is 1-Chloro-2-methyl-3-nitrobenzene (CAS: 83-42-1)?

1-Chloro-2-methyl-3-nitrobenzene (CAS: 83-42-1) is an aromatic compound with the molecular formula C7H6ClNO2. It is a yellow crystalline solid that is soluble in organic solvents. The molecule contains a nitro group, a chloro group, and a methyl group attached to a benzene ring, making it a versatile intermediate in organic synthesis.

What are the main uses of 1-Chloro-2-methyl-3-nitrobenzene (CAS: 83-42-1)?

1-Chloro-2-methyl-3-nitrobenzene (CAS: 83-42-1) is primarily used as an intermediate in the synthesis of pharmaceuticals and agrochemicals. It also finds applications in organic research for functional group transformations and can be used in industrial processes for the production of dyes and other chemical compounds.

Is 1-Chloro-2-methyl-3-nitrobenzene (CAS: 83-42-1) safe?

1-Chloro-2-methyl-3-nitrobenzene (CAS: 83-42-1) is considered toxic and should be handled with care. It may cause irritation to the skin, eyes, and respiratory system. Safety precautions include using personal protective equipment (PPE), ensuring proper ventilation, and following standard OSHA guidelines for chemical exposure.

How should 1-Chloro-2-methyl-3-nitrobenzene (CAS: 83-42-1) be stored?

1-Chloro-2-methyl-3-nitrobenzene (CAS: 83-42-1) should be stored in a cool, dry, and well-ventilated area away from direct light. It is best kept in a sealed container made of materials compatible with its chemical properties, such as glass or stainless steel, to maintain stability and prevent contamination.