2-Chloro-1-methyl-3-nitrobenzene

Basic Information

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CAS Number

3970-40-9

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

21 °C

Boiling Point

148°C/25mmHg

Refractive Index

n20/D 1.557(lit.)

SMILES

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

InChI

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

InChIKey

XTSGZXRUCAWXKY-UHFFFAOYSA-N

LogP

3.07980

Complexity

157

Safety Information

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GHS Hazard Pictograms

H302

H400

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H400 Very toxic to aquatic life
Hazardous to the aquatic environment, acute hazard

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

EN300-100607
3970-40-9
FT-0635084
Benzene, 2-chloro-1-methyl-3-nitro-
AKOS005145648
NSC 87550
PS-5584
2-chloro-1-methyl-3-nitrobenzene
2-Chloro-3-Nitro Toluene
AJ-797/43492847
EINECS 223-591-9
2-Chloro-3-nitrotoluene, 98%
AC-25928
DTXSID90192786
AM62204
NSC87550
A6630
UNII-4D4MB5FE9P
2-Chloro-1-methyl-3-nitro-benzene
4D4MB5FE9P
SCHEMBL541391
InChI=1/C7H6ClNO2/c1-5-3-2-4-6(7(5)8)9(10)11/h2-4H,1H
2-Chloro-1-methyl-3-nitro-benzene;2-Chloro-3-nitrotoluene
BP-12785
CS-W002415
2-Chloro-3-nitrotoluene
2-Chloro-3-methylnitrobenzene
C2611
NSC-87550
SY015141
J-508683

MDL Number

MFCD00134653

Customs Code

2904909090

FAQ

What regulatory guidelines apply to 2-Chloro-1-methyl-3-nitrobenzene (CAS: 3970-40-9)?

2-Chloro-1-methyl-3-nitrobenzene (CAS: 3970-40-9) falls under GHS classification as a hazardous chemical due to its potential to cause skin and eye irritation. It is subject to REACH regulations in the European Union, necessitating registration and assessment for safety. In the United States, FDA and EPA regulations require documentation of its use in pharmaceuticals and industrial applications, ensuring compliance with safety standards and environmental protection.

Are there alternatives to 2-Chloro-1-methyl-3-nitrobenzene (CAS: 3970-40-9) in synthesis?

For synthesizing similar functionalities, alternative reagents such as 2-Chloro-1-nitrobenzene or 3-Chloro-1-methyl-2-nitrobenzene can be considered. These compounds offer similar functionalities but may have different reactivity profiles, providing alternatives based on the specific needs of the synthesis process.

What is the market or research trend for 2-Chloro-1-methyl-3-nitrobenzene (CAS: 3970-40-9)?

The market for 2-Chloro-1-methyl-3-nitrobenzene (CAS: 3970-40-9) is influenced by its use in the production of dyes, pharmaceuticals, and other organic syntheses. Research trends focus on developing safer and more sustainable alternatives, as well as exploring new applications in functional materials. Economic factors and environmental regulations play a significant role in shaping demand and pricing trends.

How should waste containing 2-Chloro-1-methyl-3-nitrobenzene (CAS: 3970-40-9) be handled?

Waste containing 2-Chloro-1-methyl-3-nitrobenzene (CAS: 3970-40-9) should be collected in sealed, leak-proof containers and stored away from incompatible materials. Proper incineration or professional waste disposal services should be utilized to ensure environmental safety. Precautions include wearing appropriate personal protective equipment (PPE) and following local environmental protection guidelines and regulations.