3-Chloro-4-hydroxybenzoic acid

Basic Information

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CAS Number

3964-58-7

Molecular Formula

C7H5ClO3

Molecular Weight

172.57 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

168.0 to 172.0 deg-C

Boiling Point

331 ºC

Flash Point

154 ºC

Refractive Index

1.4580 (estimate)

SMILES

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

InChI

InChI=1S/C7H5ClO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,(H,10,11)

InChIKey

QGNLHMKIGMZKJX-UHFFFAOYSA-N

LogP

1.7437999999999994

Topological Polar Surface Area

57.53 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

160

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

3-CHLORO-4-HYDROXYBENZOICACID
CS-0063147
NS00030636
3-chloro4-hydroxybenzoic acid
SCHEMBL184485
AC-2672
Q27458813
AKOS000120563
DTXSID50192747
O10980
NSC-21186
M-CHLORO-P-HYDROXYBENZOIC ACID
NSC21186
MFCD00002549
Z104503564
Benzoic acid, 3-chloro-4-hydroxy-
FT-0615406
NSC 21186
SY002503
AM806836
4WF3LNJ6Q5
3-Chloro-4-hydroxybenzoate
InChI=1/C7H5ClO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,(H,10,11
STR03495
UNII-4WF3LNJ6Q5
BCP24557
3-CHLORO-4-HYDROXYBENZOIC ACID
EINECS 223-574-6
3-chloro-4-hydroxy-benzoic acid
AB01330439-02
3-chloro-4-hydroxy benzoic acid

MDL Number

MFCD00002549

FAQ

What are the physical and chemical properties of 3-Chloro-4-hydroxybenzoic acid (CAS: 3964-58-7)?

3-Chloro-4-hydroxybenzoic acid is a white crystalline solid with a molecular weight of 178.57 g/mol. It is slightly soluble in water and has a pKa of 3.2. The compound is reactive towards bases and can undergo esterification and condensation reactions. It is less reactive towards acids and is stable under normal storage conditions.

How is 3-Chloro-4-hydroxybenzoic acid (CAS: 3964-58-7) typically synthesized?

3-Chloro-4-hydroxybenzoic acid is typically synthesized by chlorinating salicylic acid followed by the introduction of a hydroxyl group. Common methods involve the reaction of salicylic acid with thionyl chloride to form 3-chlorosalicylic acid, followed by reduction of the chlorine to a hydroxyl group using sodium borohydride or a similar reducing agent.

What industries use 3-Chloro-4-hydroxybenzoic acid (CAS: 3964-58-7)?

3-Chloro-4-hydroxybenzoic acid is used in various industries, including pharmaceuticals, where it serves as an intermediate for the synthesis of certain drugs. It is also used in the production of dyes, pigments, and as a component in some analytical reagents and chemical sensors.

What precautions should be taken when handling 3-Chloro-4-hydroxybenzoic acid (CAS: 3964-58-7)?

When handling 3-Chloro-4-hydroxybenzoic acid, proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. The compound should be stored in a cool, dry place away from ignition sources. Spills should be cleaned up with appropriate methods, and the material safety data sheet (MSDS) should be consulted for specific guidelines. Fume hoods should be used during handling to minimize exposure to fumes.