3-Amino-5-chlorobenzoic acid

Basic Information

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CAS Number

21961-30-8

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

SMILES

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Nc1cc(Cl)cc(c1)C(=O)O

InChI

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

InChIKey

ATFAXWNNFCBZNY-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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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

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Synonyms & References

English

3-Amino-5-chlorobenzoic acid
3-Amino-5-chlor-benzoesaeure
3-amino-5-chloro-benzoic acid
3-azanyl-5-chloranyl-benzoic acid
3-chloro-5-aminobenzoic acid
3-amino-5-chlorobenzoicacid
BENZOIC ACID, 3-AMINO-5-CHLORO-
PubChem10455
3-Amino-5-chloro benzoic acid
ATFAXWNNFCBZNY-UHFFFAOYSA-N
FC1091
CL8065
STL220795
TRA0039372
AB11542
AM83999
AS04635
SY007084
AB0033952
S

MDL Number

MFCD02183894

Customs Code

2922499990

FAQ

What are the physical and chemical properties of 3-Amino-5-chlorobenzoic acid (CAS: 21961-30-8)?

3-Amino-5-chlorobenzoic acid (CAS: 21961-30-8) is a solid compound with a crystalline form. Its molecular weight is approximately 213.58 g/mol. It has a solubility of about 1.7 g/L in water at 25°C. This compound is moderately reactive, showing some basic properties due to the amino group. It is also susceptible to hydrolysis under basic conditions.

How is 3-Amino-5-chlorobenzoic acid (CAS: 21961-30-8) typically synthesized?

3-Amino-5-chlorobenzoic acid is typically synthesized via the aminoalkylation of 5-chlorobenzoic acid with an amine compound. Common methods include the use of hydroxylamine hydrochloride in aqueous acetic acid, followed by hydrolysis and purification. The yield is generally around 70-80%, and the reaction is highly selective.

What industries use 3-Amino-5-chlorobenzoic acid (CAS: 21961-30-8)?

3-Amino-5-chlorobenzoic acid (CAS: 21961-30-8) is primarily used in the pharmaceutical and chemical industries. It is a key intermediate in the synthesis of various drugs and also finds applications in the development of sensors and materials, particularly in the field of semiconductors.

What precautions should be taken when handling 3-Amino-5-chlorobenzoic acid (CAS: 21961-30-8)?

When handling 3-Amino-5-chlorobenzoic acid (CAS: 21961-30-8), appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. Work should be conducted in a fume hood to minimize exposure. Spills should be cleaned up using appropriate absorbent materials and waste disposed of according to local regulations. Safety data sheets (SDS) should be consulted for detailed information on handling and storage.