Methyl 3-chloro-5-nitrobenzoate

Basic Information

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CAS Number

36138-28-0

Molecular Formula

C8H6ClNO4

Molecular Weight

215.59 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

314℃/760mmHg

Density

1.426

Flash Point

143.7°C

Refractive Index

1.568

SMILES

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

InChI

InChI=1S/C8H6ClNO4/c1-14-8(11)5-2-6(9)4-7(3-5)10(12)13/h2-4H,1H3

InChIKey

UYQJTXQJNZMDBI-UHFFFAOYSA-N

LogP

2.55800

Complexity

240

Safety Information

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Hazard Statement

Synonyms & References

English

DTXSID70388145
PS-5658
AKOS005449037
CS-W002777
METHYL3-CHLORO-5-NITROBENZOATE
SY024116
MFCD01529623
UYQJTXQJNZMDBI-UHFFFAOYSA-N
36138-28-0
3-chloro-5-nitrobenzoic acid methyl ester
3-Chloro-5-nitro-benzoic acid methyl ester
A874427
methyl 3-chloro-5-nitrobenzoate
SCHEMBL583930
Methyl 3-chloro-5-nitrobenzoate
Benzoic acid, 3-chloro-5-nitro-, methyl ester
3-Chlor-5-nitro-benzoesaeure-methylester
3-chloro-5-nitro-benzoic acid methyl ester
methyl 5-chloro-3-nitrobenzoate
STK377450
ST2407206
X5417
ST51059140
Benzoic acid,3-chloro-5-nitro-, methyl ester

MDL Number

MFCD01529623

Customs Code

2916399090

FAQ

What are the physical and chemical properties of Methyl 3-chloro-5-nitrobenzoate (CAS: 36138-28-0)?

Methyl 3-chloro-5-nitrobenzoate has a crystalline form and a molecular weight of approximately 240.03 g/mol. It is slightly soluble in water but more soluble in organic solvents like ethanol and acetone. Chemically, it is relatively stable but can react with bases to form the corresponding anion. It has a pKa of about 2.8 and a melting point of around 130°C.

How is Methyl 3-chloro-5-nitrobenzoate (CAS: 36138-28-0) typically synthesized?

Methyl 3-chloro-5-nitrobenzoate can be synthesized via nitration of methyl benzoate followed by chlorination. Commonly, the nitration is performed using nitric acid and sulfuric acid mixture, and chlorination is achieved using thionyl chloride. The overall process involves careful control of temperature and concentration to achieve high yield and selectivity.

What industries use Methyl 3-chloro-5-nitrobenzoate (CAS: 36138-28-0)?

Methyl 3-chloro-5-nitrobenzoate is used in the pharmaceutical industry for the synthesis of certain drugs, particularly those requiring specific functional groups. It is also utilized in the polymer industry for the preparation of special polymers and in the sensor industry for developing gas sensing materials. Additionally, it has applications in semiconductor technology as a precursor for certain compounds.

What precautions should be taken when handling Methyl 3-chloro-5-nitrobenzoate (CAS: 36138-28-0)?

When handling Methyl 3-chloro-5-nitrobenzoate, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or fume hood to minimize inhalation risk. Store it in a cool, dry place away from direct sunlight and heat sources. In case of a spill, neutralize the compound with a base and dispose of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal instructions.