2-[(3-Chlorophenyl)amino]benzoic acid

Basic Information

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CAS Number

13278-36-9

Molecular Formula

C13H10ClNO2

Molecular Weight

247.68 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

169.0 to 173.0 deg-C

Boiling Point

403.7±30.0 °C at 760 mmHg

Density

1.4±0.1 g/cm3

Flash Point

198.0±24.6 °C

Refractive Index

1.672

Vapor Pressure

0.0±1.0 mmHg at 25°C

SMILES

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C1=CC=C(C(=C1)C(=O)O)NC2=CC(=CC=C2)Cl

InChI

InChI=1S/C13H10ClNO2/c14-9-4-3-5-10(8-9)15-12-7-2-1-6-11(12)13(16)17/h1-8,15H,(H,16,17)

InChIKey

OVMWPVYEBVFZHM-UHFFFAOYSA-N

LogP

3.7818000000000014

Topological Polar Surface Area

49.33 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

272

Safety Information

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Hazard Statement

Synonyms & References

English

NSC 49135
MFCD01928172
Benzoic acid, 2-[(3-chlorophenyl)amino]-
AJ-333/13050074
KUC112562N
NS00024237
UNII-LW9LF7L96X
2-hydroxy-6-methyl-chromen-4-one
2-[(3-Chlorophenyl)amino]benzoic Acid
AKOS000265469
2-(m-chlorophenylamino)benzoic acid
A806495
LW9LF7L96X
FT-0652343
N-(3-Chlorophenyl)anthranilic Acid
2-(3-Chloroanilino)benzoic acid
AS-64502
Benzoic acid, 2-((3-chlorophenyl)amino)-
InChI=1/C13H10ClNO2/c14-9-4-3-5-10(8-9)15-12-7-2-1-6-11(12)13(16)17/h1-8,15H,(H,16,17)
D89484
CHEMBL22815
OVMWPVYEBVFZHM-UHFFFAOYSA-
N-(m-Chlorophenyl)anthranilic acid
2-((3-Chlorophenyl)amino)benzoic acid
SCHEMBL3681838
DTXSID70157792
NSC49135
NSC-49135
SB80595
CS-0444664
2-(3-chlorophenylamino)benzoic acid

MDL Number

MFCD01928172

Customs Code

2922499990

FAQ

What are the physical and chemical properties of 2-[(3-Chlorophenyl)amino]benzoic acid (CAS: 13278-36-9)?

2-[(3-Chlorophenyl)amino]benzoic acid is a white solid with a crystalline form. The molecular weight is approximately 263.67 g/mol. It has a pKa of about 3.7. The compound is only slightly soluble in water but soluble in polar organic solvents. It is moderately reactive towards basic conditions and can undergo hydrolysis. The compound is stable under normal storage conditions but should be protected from moisture and light.

How is 2-[(3-Chlorophenyl)amino]benzoic acid (CAS: 13278-36-9) typically synthesized?

2-[(3-Chlorophenyl)amino]benzoic acid is typically synthesized via the reaction of 3-chloroaniline and benzoic anhydride. The process involves heating the mixture to form the amide bond. Common solvents include toluene and ethanol. The yield is usually around 70-80%. The reaction is carried out under mild conditions to ensure selectivity and high purity.

What industries use 2-[(3-Chlorophenyl)amino]benzoic acid (CAS: 13278-36-9)?

2-[(3-Chlorophenyl)amino]benzoic acid is primarily used in the pharmaceutical industry as an intermediate in the synthesis of various drugs. It is also utilized in the polymer industry for the development of specialty polymers and in the sensor industry for its reactivity towards specific chemical species. Additionally, it finds use in the semiconductor industry as a dopant.

What precautions should be taken when handling 2-[(3-Chlorophenyl)amino]benzoic acid (CAS: 13278-36-9)?

When handling 2-[(3-Chlorophenyl)amino]benzoic acid, it is important to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a laboratory coat. The compound should be handled in a well-ventilated area or under a fume hood due to its potential for producing toxic fumes. In case of a spill, immediately clean up using absorbent materials and wash the area with water. Refer to the safety data sheet (SDS) for detailed handling and emergency procedures.