4-Amino-3-chlorobenzoic acid

Basic Information

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CAS Number

2486-71-7

Molecular Formula

C7H6ClNO2

Molecular Weight

171.58 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

White to Yellow Solid

Melting Point

224-229 °C

Boiling Point

341.2℃ at 760 mmHg

Density

1.476

Flash Point

160.2℃

SMILES

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C1=CC(=C(C=C1C(=O)O)Cl)N

InChI

InChI=1S/C7H6ClNO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,9H2,(H,10,11)

InChIKey

YIYBPEDZAUFQLO-UHFFFAOYSA-N

LogP

1.6204

Topological Polar Surface Area

63.32000000000001 Å²

Hydrogen Bond Donor/Acceptor

3 / 3

Complexity

163

Safety Information

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GHS Hazard Pictograms

H302

H315

H319

H335

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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 Class IRRITANT

Synonyms & References

English

NSC 212132
4-amino-3-chlorbenzoic acid
EN300-74254
NSC212132
EINECS 219-630-4
DTXSID00179563
J-514354
FT-0630030
4-Amnio-3-chlorobenzioc acid
GBC9H9RW4T
NSC-212132
4-Amino-3-chloro-benzoicacid
4-Amino-3-chlorobenzoic acid, 97%
4-Amino-3-chloro-benzoic acid
2486-71-7
SCHEMBL99833
AKOS005138418
4-AMINO-3-CHLOROBENZOIC ACID
3-chloro-4-aminobenzoic acid
MFCD00460423
Z1082868852
4-Amino-3-chlorobenzoicacid
CS-W020673
AS-14534
AM61421
AC-3874
A5079
Benzoic acid, 4-amino-3-chloro-
NS00027755
J-650191
CHEMBL3278368

MDL Number

MFCD00460423

Customs Code

2922499990

FAQ

What are the physical and chemical properties of 4-Amino-3-chlorobenzoic acid (CAS: 2486-71-7)?

4-Amino-3-chlorobenzoic acid (CAS: 2486-71-7) is a white crystalline solid with a molecular weight of 215.57 g/mol. It is slightly soluble in water and has a melting point of 237-239°C. This compound is moderately reactive and can undergo substitution reactions. It is used as a starting material in organic synthesis due to its functional groups.

How is 4-Amino-3-chlorobenzoic acid (CAS: 2486-71-7) typically synthesized?

4-Amino-3-chlorobenzoic acid (CAS: 2486-71-7) is typically synthesized by chlorination of 3-chlorobenzoic acid followed by hydrolysis to introduce the amino group. This process involves the use of chlorine gas and a suitable base catalyst. The yield of the reaction is around 70-80%, and the product is purified by crystallization.

What industries use 4-Amino-3-chlorobenzoic acid (CAS: 2486-71-7)?

4-Amino-3-chlorobenzoic acid (CAS: 2486-71-7) is used in the pharmaceutical and chemical industries. It serves as a precursor in the synthesis of various drugs and intermediates. Additionally, this compound can be utilized in the production of dyes and pigments, where its functional groups are valuable for derivatization.

What precautions should be taken when handling 4-Amino-3-chlorobenzoic acid (CAS: 2486-71-7)?

When handling 4-Amino-3-chlorobenzoic acid (CAS: 2486-71-7), appropriate personal protective equipment (PPE) should be worn, including gloves, goggles, and a lab coat. This compound should be handled in a well-ventilated area or a fume hood to minimize inhalation risk. Spills should be cleaned up carefully using appropriate materials, and proper disposal methods should be followed. Always consult the Material Safety Data Sheet (MSDS) for detailed safety information.