1,2-Dichloro-4-methyl-5-nitrobenzene

Basic Information

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CAS Number

7494-45-3

Molecular Formula

C7H5Cl2NO2

Molecular Weight

206.03 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

60.0 to 64.0 deg-C

Boiling Point

277.1 ℃ at 760 mmHg

Density

1.456

Flash Point

121.4 °C

Refractive Index

1.585

SMILES

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

InChI

InChI=1S/C7H5Cl2NO2/c1-4-2-5(8)6(9)3-7(4)10(11)12/h2-3H,1H3

InChIKey

AOTWCYSQDSKAQT-UHFFFAOYSA-N

LogP

3.73320

Complexity

183

Synonyms & References

English

D3271
AOTWCYSQDSKAQT-UHFFFAOYSA-N
EN300-28997
AKOS004904713
NSC-400297
2-nitro-4,5-dichlorotoluene
AMY28111
SCHEMBL3175084
A19666
J-503812
DTXSID00322057
4,5-Dichloro-2-methyl-nitrobenzene
1,2-dichloro-4-methyl-5-nitrobenzene
4.5-dichloro-2-nitrotoluene
SY047417
MFCD01109847
Benzene, 1,2-dichloro-4-methyl-5-nitro-
4,5-Dichloro-2-nitrotoluene
CS-0094457
NSC400297
3,4-DICHLORO-6-NITROTOLUENE
FT-0636507
Z279593844
7494-45-3
1,2-Dichloro-4-methyl-5-nitrobenzene
3,4-Dichloro-6-nitrotoluene
4`5-DICHLORO-2-NITROTOLUENE
Benzene,1,2-dichloro-4-methyl-5-nitro-
C7H5Cl2NO2

MDL Number

MFCD01109847

Customs Code

2904909090

FAQ

What are the physical and chemical properties of 1,2-Dichloro-4-methyl-5-nitrobenzene (CAS: 7494-45-3)?

1,2-Dichloro-4-methyl-5-nitrobenzene (CAS: 7494-45-3) is a solid with a crystalline form. Its molecular weight is approximately 225.01 g/mol. It has low water solubility but is more soluble in organic solvents like ethanol and acetone. It exhibits moderate reactivity, particularly towards nucleophiles and reducing agents.

How is 1,2-Dichloro-4-methyl-5-nitrobenzene (CAS: 7494-45-3) typically synthesized?

1,2-Dichloro-4-methyl-5-nitrobenzene can be synthesized via the nitration of 4-methyl-1,2-dichlorobenzene followed by appropriate purification steps. Common catalysts include sulfuric acid, and the reaction typically yields a product with good selectivity and moderate yield.

What industries use 1,2-Dichloro-4-methyl-5-nitrobenzene (CAS: 7494-45-3)?

1,2-Dichloro-4-methyl-5-nitrobenzene (CAS: 7494-45-3) is used in the pharmaceutical industry for the synthesis of certain drugs, as well as in the sensor industry for its reactivity with specific analytes. It also has applications in the semiconductor industry for etching and patterning processes.

What precautions should be taken when handling 1,2-Dichloro-4-methyl-5-nitrobenzene (CAS: 7494-45-3)?

When handling 1,2-Dichloro-4-methyl-5-nitrobenzene (CAS: 7494-45-3), appropriate personal protective equipment (such as gloves, goggles, and a lab coat) should be worn. It should be stored in a cool, dry place away from heat sources and incompatible materials. In case of spill, the area should be ventilated and the spill cleaned up using appropriate safety procedures outlined in the Material Safety Data Sheet (MSDS/SDS).