2-Chloro-1-methyl-4-nitrobenzene

Basic Information

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CAS Number

121-86-8

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

60-64 °C

Boiling Point

260°C

Water Solubility

49 mg/L (20 ºC)

Solubility

acetonitrile: soluble

Refractive Index

1.5470 (estimate)

SMILES

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CC1=C(C=C(C=C1)[N+](=O)[O-])Cl

InChI

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

InChIKey

LLYXJBROWQDVMI-UHFFFAOYSA-N

LogP

3.07980

Complexity

157

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

NCGC00258429-01
2-chloranyl-1-methyl-4-nitro-benzene
EC 204-501-7
NSC60111
9T26LNR6T8
VS-07305
4-Nitro-2-chlorotoluene
Q27273149
2-chloro-1-methyl-4-nitro-benzene
2-Chloro-4-nitrotoluene, 97%
NSC-60111
2-Chloro-1-methyl-4-nitrobenzene
2-CHLORO-4-NITROTOLUENE
EINECS 204-501-7
NSC 60111
BRN 1817924
2,4-Chloronitrotoluene
Benzene, 1-chloro-2-methyl-5-nitro-
Benzene, 2-chloro-1-methyl-4-nitro-
CHEMBL3184617
2-CHLORO-4-NITROTOLUENE [HSDB]
1-CHLORO-2-METHYL-5-NITROBENZENE
2-Chloro-4-nitrotoluene, analytical standard
2-Chlor-4-nitrotoluen
2-chloro-4-nitro-toluene
DTXCID406984
2-Chloro-4-nitrotoluen [Czech]
AKOS000121346
W-108449
HSDB 5592
SCHEMBL431298

MDL Number

MFCD00007210

Customs Code

2904909090

FAQ

What are the physical and chemical properties of 2-Chloro-1-methyl-4-nitrobenzene (CAS: 121-86-8)?

2-Chloro-1-methyl-4-nitrobenzene is a crystalline solid with a molecular weight of approximately 188.59 g/mol. It is slightly soluble in water and has a low solubility in common organic solvents. This compound is known for its reactivity, particularly towards nucleophilic substitution and reduction reactions.

How is 2-Chloro-1-methyl-4-nitrobenzene (CAS: 121-86-8) typically synthesized?

2-Chloro-1-methyl-4-nitrobenzene is commonly synthesized via the nitration of 2-chloro-1-methylbenzene, followed by purification steps. This process often involves the use of concentrated sulfuric acid as a catalyst and nitric acid as the nitration reagent. The yield can vary depending on the reaction conditions and purification methods.

What industries use 2-Chloro-1-methyl-4-nitrobenzene (CAS: 121-86-8)?

2-Chloro-1-methyl-4-nitrobenzene is primarily used in the pharmaceutical and dye industries. It serves as a key intermediate in the synthesis of various drugs and synthetic dyes. Additionally, it is utilized in the production of certain functional materials and chemical reagents.

What precautions should be taken when handling 2-Chloro-1-methyl-4-nitrobenzene (CAS: 121-86-8)?

When handling 2-Chloro-1-methyl-4-nitrobenzene, it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. This compound should be stored in a cool, dry place, away from sources of ignition. In case of a spill, the area should be ventilated, and appropriate spill cleanup procedures should be followed. Always refer to the Safety Data Sheet (SDS) for detailed safety information.