1-Chloro-4-methyl-2-nitrobenzene

Basic Information

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CAS Number

89-60-1

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

7 °C

Boiling Point

260°C

Density

1.297 g/mL at 25 °C

Refractive Index

n20/D 1.558(lit.)

SMILES

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

InChI

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

InChIKey

NWESJZZPAJGHRZ-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

AC-12204
CS-W017646
NSC-60721
89-60-1
2-Chloro-5-methylnitrobenzene
W-100369
EN300-39658
SCHEMBL84100
1-Chloro-4-methyl-2-nitrobenzene
4-chlor-3-nitrotoluen
4-chloro-3-nitro-toluene
DTXSID9058995
F0001-2195
JF8MPL73NZ
FT-0618098
A843245
EINECS 201-922-8
1-chloranyl-4-methyl-2-nitro-benzene
Z393629992
4-Chloro-3-nitrotoluene, technical grade
AKOS009159380
NSC60721
DS-14605
Benzene, 1-chloro-4-methyl-2-nitro-
1-chloro-4-methyl-2-nitro-benzene
MFCD00007085
4-CHLORO-3-NITROTOLUENE
4,3-Chloronitrotoluene
3-Nitro-4-chlorotoluene
Toluene, 4-chloro-3-nitro-
NSC 60721

MDL Number

MFCD00007085

Customs Code

29049085

FAQ

What regulatory guidelines apply to 1-Chloro-4-methyl-2-nitrobenzene (CAS: 89-60-1)?

1-Chloro-4-methyl-2-nitrobenzene (CAS: 89-60-1) is classified as a hazardous chemical under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS). It falls under categories requiring specific safety data sheets (SDS) and labels. In the European Union, it is regulated by REACH, where it may require notification to the authorities. FDA and EPA have specific regulations for its use and disposal in the pharmaceutical and industrial sectors, respectively.

Are there alternatives to 1-Chloro-4-methyl-2-nitrobenzene (CAS: 89-60-1) in synthesis?

There are several alternatives to 1-Chloro-4-methyl-2-nitrobenzene (CAS: 89-60-1) in synthesis, such as 1-bromo-4-methyl-2-nitrobenzene or 1-fluoro-4-methyl-2-nitrobenzene. These can be used as precursors in different reaction pathways. Additionally, isomers like 2-chloro-4-methyl-1-nitrobenzene can be explored based on the specific requirements of the synthesis.

What is the market or research trend for 1-Chloro-4-methyl-2-nitrobenzene (CAS: 89-60-1)?

The market for 1-Chloro-4-methyl-2-nitrobenzene (CAS: 89-60-1) is primarily driven by its use in the pharmaceutical and agrochemical industries. There is a trend towards developing safer alternatives due to environmental and regulatory pressures. Emerging research is focused on understanding its role in medicinal chemistry and exploring its potential in novel drug discovery.

How should waste containing 1-Chloro-4-methyl-2-nitrobenzene (CAS: 89-60-1) be handled?

Waste containing 1-Chloro-4-methyl-2-nitrobenzene (CAS: 89-60-1) should be collected in suitable containers and stored in a well-ventilated area away from incompatible materials. Proper incineration or professional waste disposal services should be used. It is crucial to follow local and national regulations for waste disposal to ensure environmental safety and compliance.