3-Chloro-2-nitrobenzoic acid

Basic Information

View in Editor

CAS Number

4771-47-5

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

239°C

Boiling Point

365.6℃ at 760 mmHg

Flash Point

174.9℃

Refractive Index

1.6000 (estimate)

SMILES

View in Editor

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

InChI

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

InChIKey

VCHSXYHBMFKRBK-UHFFFAOYSA-N

LogP

2.46960

Complexity

227

Safety Information

View Safety Information

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

Hazard Class

Class IRRITANT-HARMFUL Class IRRITANT-HARMFUL

Synonyms & References

English

AKOS005254524
EN300-98788
DTXSID70197259
3-CHLORO-2-NITROBENZOIC ACID
chloro-2-nitrobenzoic acid
SY005029
CS-W002020
3-Chloro-2-nitrobenzoic acid, 97%
FT-0615358
3-chloro-2-nitro-benzoic acid
3-chloro2-nitrobenzoic acid
Benzoic acid, 3-chloro-2-nitro-
C0988
BP-11473
InChI=1/C7H4ClNO4/c8-5-3-1-2-4(7(10)11)6(5)9(12)13/h1-3H,(H,10,11
W-106066
DS-0880
Chlornitrobenzoesaure
AC-3191
SCHEMBL206197
4771-47-5
3-Chloro-2-nitrobenzoicacid
GEO-00754
AM20060319
EINECS 225-313-1
TD1204
NS00031718
AB00833
MFCD00007087
3-Chloro-2-nitrobenzoic acid
2-Nitro-3-chlor-benzoesaeure

MDL Number

MFCD00007087

Customs Code

2916399090

FAQ

What are the physical and chemical properties of 3-Chloro-2-nitrobenzoic acid (CAS: 4771-47-5)?

3-Chloro-2-nitrobenzoic acid is a crystalline solid with a molecular weight of approximately 215.03 g/mol. It has a melting point of 249-252°C. The compound is slightly soluble in water but more soluble in organic solvents like ethanol and acetone. It is chemically reactive, particularly with bases and reducing agents, due to the presence of both nitro and chlorine functional groups.

How is 3-Chloro-2-nitrobenzoic acid (CAS: 4771-47-5) typically synthesized?

3-Chloro-2-nitrobenzoic acid can be synthesized through the nitration of 3-chlorobenzoic acid followed by acetylation and hydrolysis. The nitration step involves the reaction of 3-chlorobenzoic acid with nitric acid in the presence of a sulfuric acid catalyst. The yield is typically around 70-80%, and the product can be purified by recrystallization.

What industries use 3-Chloro-2-nitrobenzoic acid (CAS: 4771-47-5)?

3-Chloro-2-nitrobenzoic acid is used in the pharmaceutical industry as an intermediate for the synthesis of certain drugs. It also finds applications in the production of dyes and pigments, as well as in the synthesis of various organic compounds for use in polymers and sensors. Additionally, it can be used in the electronics industry for semiconductor manufacturing processes.

What precautions should be taken when handling 3-Chloro-2-nitrobenzoic acid (CAS: 4771-47-5)?

When handling 3-Chloro-2-nitrobenzoic acid, it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. It should be handled in a fume hood to minimize inhalation risks. Spills should be immediately neutralized with an appropriate base before cleaning up. Always refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.