2-Chloro-3-nitrobenzoic acid

Basic Information

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CAS Number

3970-35-2

Molecular Formula

C7H4ClNO4

Molecular Weight

201.56 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

183.0 to 187.0 deg-C

Boiling Point

359.9°C at 760 mmHg

Flash Point

171.5℃

Refractive Index

1.6000 (estimate)

Vapor Pressure

0.0±0.8 mmHg at 25°C

SMILES

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

InChI

InChI=1S/C7H4ClNO4/c8-6-4(7(10)11)2-1-3-5(6)9(12)13/h1-3H,(H,10,11)

InChIKey

JRQDVRIQJJPHEQ-UHFFFAOYSA-N

LogP

2.46960

Complexity

227

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

NSC92742
2-Chloro-3-nitro-benzoic acid
UNII-KG8W66PX35
3970-35-2
GS-3205
NS00022145
EN300-50857
SY002946
SCHEMBL8263377
2-chloro-3-nitrobenzoicacid
NSC-92742
3-Nitro-2-chlorobenzoic acid
CS-W009146
FT-0611733
Nitrochlorbenzoesaure
DTXSID30192785
2-chloro-3-nitrobezoic acid
EINECS 223-590-3
MFCD00007069
AKOS007930613
AC-2797
Benzoic acid, 2-chloro-3-nitro-
SCHEMBL309038
W-106409
KG8W66PX35
MESALAZINE IMPURITY Q [EP IMPURITY]
2-CHLORO-3-NITROBENZOIC ACID
2-chloro-3-carboxynitrobenzene
2-chloro-3-carboxy-nitrobenzene
2-Chloro-3-Nitro Benzoic Acid
BCP06453

MDL Number

MFCD00007069

Customs Code

2942000000

FAQ

What are the physical and chemical properties of 2-Chloro-3-nitrobenzoic acid (CAS: 3970-35-2)?

2-Chloro-3-nitrobenzoic acid is a crystalline solid with a molecular weight of approximately 213.03 g/mol. It has a pKa of around 2.7 and is moderately soluble in water. It is highly reactive, particularly towards nucleophiles, and shows limited solubility in common organic solvents like ethanol and acetone.

How is 2-Chloro-3-nitrobenzoic acid (CAS: 3970-35-2) typically synthesized?

2-Chloro-3-nitrobenzoic acid is typically synthesized by the nitration of 2-chlorobenzoic acid followed by nitration. This involves the use of nitric acid and sulfuric acid as reagents, with careful control over temperature and reaction conditions to ensure high selectivity and yield.

What industries use 2-Chloro-3-nitrobenzoic acid (CAS: 3970-35-2)?

2-Chloro-3-nitrobenzoic acid finds applications in the pharmaceutical industry as an intermediate in the synthesis of various drugs. It is also used in the development of sensors, semiconductors, and in the production of dyes and pigments due to its chemical reactivity and functional groups.

What precautions should be taken when handling 2-Chloro-3-nitrobenzoic acid (CAS: 3970-35-2)?

When handling 2-Chloro-3-nitrobenzoic acid, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, safety glasses, and a lab coat. Work should be conducted in a fume hood to minimize exposure. In the event of a spill, it should be immediately contained and cleaned up using appropriate methods, and the area should be thoroughly ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling and safety information.