Methyl 2-chloro-5-nitrobenzoate

Basic Information

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CAS Number

6307-82-0

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

Melting Point

67.0 to 72.0 deg-C

Boiling Point

316.7℃ at 760 mmHg

Density

1.4928 (rough estimate)

Water Solubility

Soluble in methanol. Insoluble in water.

Flash Point

145.3 °C

Refractive Index

1.6000 (estimate)

SMILES

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

InChI

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

InChIKey

VCYWZLGOWNCJNJ-UHFFFAOYSA-N

LogP

2.55800

Complexity

240

Safety Information

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Hazard Statement

H316 Causes mild skin irritation
Skin corrosion/irritation

H320 Causes eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

4-09-00-01228 (Beilstein Handbook Reference)
DTXSID90212397
BENZOIC ACID, 2-CHLORO-5-NITRO-, METHYL ESTER
Z19718166
MFCD00184587
Methyl 2-chloro-5-nitrobenzenecarboxylate
Methylester kyseliny 2-chlor-5-nitrobenzoove
Methylester kyseliny 2-chlor-5-nitrobenzoove [Czech]
2-chloro-1-methoxycarbonyl-5-nitrobenzene
FT-0628448
NS00035284
BRN 1966320
Methyl2-Chloro-5-nitrobenzoate
NSC 44287
NSC-44287
C1732
6W-0299
A834204
UPCMLD0ENAT5948501:001
2-Chloro-5-nitrobenzoic acid, methyl ester
CS-W014889
NSC44287
AKOS000283610
CHEMBL2260451
Q63395371
VCYWZLGOWNCJNJ-UHFFFAOYSA-N
6307-82-0
methyl 2-chloro-5-nitro-benzoate;Methyl 2-chloro-5-nitrobenzoate
EN300-28646
SY007297
Methyl 2-chloro-5-nitrobenzoate

MDL Number

MFCD00184587

FAQ

What regulatory guidelines apply to Methyl 2-chloro-5-nitrobenzoate (CAS: 6307-82-0)?

Methyl 2-chloro-5-nitrobenzoate (CAS: 6307-82-0) falls under the GHS classification system, which categorizes it as a hazardous substance due to its potential health and environmental risks. In the European Union, it is regulated under REACH (Registration, Evaluation, Authorization and Restriction of Chemicals) to ensure safety in handling and use. Additionally, the FDA and EPA have specific guidelines for its use in the pharmaceutical and chemical industries, focusing on safety and environmental protection.

Are there alternatives to Methyl 2-chloro-5-nitrobenzoate (CAS: 6307-82-0) in synthesis?

There are several alternatives to Methyl 2-chloro-5-nitrobenzoate (CAS: 6307-82-0) in synthesis, including isomers like Methyl 2-bromo-5-nitrobenzoate and analogs like Methyl 2-chloro-4-nitrobenzoate. Common alternative reagents include substituted benzoic acids and their derivatives. These alternatives provide similar functionalities but with varied reactivity and toxicity profiles, making them suitable for different synthetic pathways and applications.

What is the market or research trend for Methyl 2-chloro-5-nitrobenzoate (CAS: 6307-82-0)?

The market for Methyl 2-chloro-5-nitrobenzoate (CAS: 6307-82-0) is primarily driven by its use in pharmaceuticals and chemical intermediates. Research trends focus on its potential as an intermediate in the synthesis of drugs targeting various diseases, particularly in antiviral and antibacterial applications. Market trends show a steady demand, with price fluctuations influenced by supply chain dynamics and regulatory changes. Emerging research also explores its application in catalysis and polymer chemistry.

How should waste containing Methyl 2-chloro-5-nitrobenzoate (CAS: 6307-82-0) be handled?

Waste containing Methyl 2-chloro-5-nitrobenzoate (CAS: 6307-82-0) should be collected in appropriate containers lined with impermeable materials. It should be stored in a cool, well-ventilated area away from incompatible substances. Proper disposal requires incineration in a regulated facility or professional waste disposal service to ensure environmental safety. Precautions include wearing protective gear and following local environmental regulations to minimize exposure and environmental impact.