3-Amino-4-chlorobenzoic acid

Basic Information

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CAS Number

2840-28-0

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

Melting Point

213.0 to 216.0 deg-C

Boiling Point

358.7℃ at 760 mmHg

Flash Point

170.7℃

Refractive Index

1.5560 (estimate)

Vapor Pressure

0.0±0.8 mmHg at 25°C

SMILES

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

InChI

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

InChIKey

DMGFVJVLVZOSOE-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

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

EN300-20481
CHEMBL3187922
FT-0614970
NSC211572
CAS-2840-28-0
SCHEMBL51027
AS-11933
InChI=1/C7H6ClNO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,9H2,(H,10,11
3-Amino-4-chloro-benzoic acid
3-Amino-4-chlorobenzoic acid
4-chloro-3-aminobenzoic acid
Z104478358
AMY21958
2840-28-0
3-Amino-4-chlorobenzoic acid, >=98.0% (T)
3Q8R4430CF
SY001488
Benzoic acid, 3-amino-4-chloro-
EINECS 220-635-9
DTXCID6024414
W-107045
Q27257898
NSC-211572
BB 0245793
Tox21_302124
3-amino-4-chloro-benzoate;3-Amino-4-chlorobenzoic acid
3-Amino-4-chlorobenzoicAcid
4-CHLORO-5-AMINOBENZOIC ACID
NSC 211572
UNII-3Q8R4430CF
CK2207

MDL Number

MFCD00007671

Customs Code

29224995

FAQ

What is 3-Amino-4-chlorobenzoic acid (CAS: 2840-28-0)?

3-Amino-4-chlorobenzoic acid (CAS: 2840-28-0) is an aromatic carboxylic acid containing an amino group and a chlorine atom at specific positions. Its chemical formula is C7H7ClN2O2. It is a white crystalline solid with moderate solubility in water and is commonly used in organic synthesis due to its versatile functional groups.

What are the main uses of 3-Amino-4-chlorobenzoic acid (CAS: 2840-28-0)?

3-Amino-4-chlorobenzoic acid (CAS: 2840-28-0) is primarily used in pharmaceutical research as a building block for drug development. It also finds applications in the synthesis of dyes, agrochemicals, and other organic compounds. Its unique structure makes it valuable in the creation of bioactive molecules and functional materials.

Is 3-Amino-4-chlorobenzoic acid (CAS: 2840-28-0) safe?

3-Amino-4-chlorobenzoic acid (CAS: 2840-28-0) is generally considered safe when handled properly. However, it may cause mild irritation to the skin and eyes. Protective gloves and safety goggles are recommended during handling. It is important to follow standard laboratory safety protocols and consult safety data sheets for detailed information.

How should 3-Amino-4-chlorobenzoic acid (CAS: 2840-28-0) be stored?

3-Amino-4-chlorobenzoic acid (CAS: 2840-28-0) should be stored in a cool, dry, and well-ventilated place, away from direct light. It is best kept in a sealed container to prevent moisture absorption. Proper storage ensures its stability and prevents degradation over time.