2-Chloro-3,4-dihydroxybenzoic acid

Basic Information

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CAS Number

87932-50-1

Molecular Formula

C7H5ClO4

Molecular Weight

188.57 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

SMILES

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

InChI

InChI=1S/C7H5ClO4/c8-5-3(7(11)12)1-2-4(9)6(5)10/h1-2,9-10H,(H,11,12)

InChIKey

IEKVQMDBVWMVMB-UHFFFAOYSA-N

LogP

1.4493999999999998

Topological Polar Surface Area

77.76 Å²

Hydrogen Bond Donor/Acceptor

3 / 4

Complexity

184

Synonyms & References

English

2-chloro-3,4-dihydroxybenzoic acid
2-Chloro-3,4-dihydroxybenzoicacid
AMY19645
2-Chloro-3,4-dihydroxy benzoic acid
Benzoic acid, 2-chloro-3,4-dihydroxy-
F19892
A902004
2-chloro-3,4-dihydroxy-benzoic acid
2-Chloro-3,4-dihydroxybenzoic acid (ACI)
Protocatechuic acid, 2-chloro- (6CI)
2-Chloroprotocatechuic acid
AKOS027324126
SY126819
MFCD20640292
2-Chloro-3,4-dihydroxybenzoic acid
103339-65-7
IEKVQMDBVWMVMB-UHFFFAOYSA-N
DB-116672
87932-50-1
DTXSID20908332
DS-11472
A1-01158
CS-0157198
SCHEMBL3546145

MDL Number

MFCD20640292

FAQ

What are the physical and chemical properties of 2-Chloro-3,4-dihydroxybenzoic acid (CAS: 87932-50-1)?

2-Chloro-3,4-dihydroxybenzoic acid is a crystalline solid with a molecular weight of approximately 219.59 g/mol. It has a melting point of 224-227°C and a solubility in water of about 0.12 g/100 mL at 25°C. It is reactive towards bases and can undergo substitution and condensation reactions.

How is 2-Chloro-3,4-dihydroxybenzoic acid (CAS: 87932-50-1) typically synthesized?

2-Chloro-3,4-dihydroxybenzoic acid is typically synthesized by chlorination of 3,4-dihydroxybenzoic acid using thionyl chloride as a reagent. The reaction is carried out under anhydrous conditions to avoid hydrolysis and dehydration reactions.

What industries use 2-Chloro-3,4-dihydroxybenzoic acid (CAS: 87932-50-1)?

2-Chloro-3,4-dihydroxybenzoic acid is used in the pharmaceutical industry as an intermediate in the synthesis of certain drugs. It also finds applications in the polymer industry as a monomer for specific polymer formulations, and in the sensor industry for its chemical sensing capabilities.

What precautions should be taken when handling 2-Chloro-3,4-dihydroxybenzoic acid (CAS: 87932-50-1)?

When handling 2-Chloro-3,4-dihydroxybenzoic acid, appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. It should be stored in a cool, dry, and well-ventilated area. In case of spill, it should be handled with care, and appropriate spill kits should be used. Always consult the Safety Data Sheet (SDS) for detailed handling and emergency procedures.