3-Bromo-2-thiophenecarboxylic acid

Basic Information

View in Editor

CAS Number

7311-64-0

Molecular Formula

C5H3BrO2S

Molecular Weight

207.05 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

196.0 to 200.0 deg-C

Boiling Point

318 °C at 760 mmHg

Density

1.923

Flash Point

146.1 °C

Vapor Pressure

0.0±0.7 mmHg at 25°C

SMILES

View in Editor

C1=CSC(=C1Br)C(=O)O

InChI

InChI=1S/C5H3BrO2S/c6-3-1-2-9-4(3)5(7)8/h1-2H,(H,7,8)

InChIKey

VQQLWBUTTMNMFT-UHFFFAOYSA-N

LogP

2.2088

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

128

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

W-200497
3-Bromo-thiopene-2-carboxylic acid
3-bromo-thiophene 2-carboxylic acid
BCP27553
3-bromo-2-thiophenecarboxylic acid
2-THIOPHENECARBOXYLIC ACID, 3-BROMO-
bromo-thiophene-2-carboxylic acid
3-Bromothiophene-2-carboxylic acid
SCHEMBL399760
PB25929
GEO-00584
CS-W004773
3-bromothiphene-2-carboxylic acid
FS-1606
SY017647
HMS562F18
VQQLWBUTTMNMFT-UHFFFAOYSA-N
AF-960/00468043
A15776
CCG-248277
B4605
3-bromo-thiophene-2-carboxylic acid
7311-64-0
Maybridge1_007344
MFCD00052291
FT-0600872
3-Bromothiophene-2-carboxylicacid
3-BROMO-2-THENOIC ACID
3-Bromothiophene-2-carboxylic acid, 97%
AM20100700
Z431551012

MDL Number

MFCD00052291

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 3-Bromo-2-thiophenecarboxylic acid (CAS: 7311-64-0)?

3-Bromo-2-thiophenecarboxylic acid is a white crystalline solid with a molecular weight of approximately 214.03 g/mol. It has a melting point of 135-136°C and is slightly soluble in water. It is reactive towards nucleophiles and can undergo substitution reactions. The compound is stable under normal conditions but should be stored in a dry, cool place away from direct sunlight.

How is 3-Bromo-2-thiophenecarboxylic acid (CAS: 7311-64-0) typically synthesized?

3-Bromo-2-thiophenecarboxylic acid is typically synthesized by bromination of 2-thiophenecarboxylic acid. The bromination is usually carried out using bromine in the presence of a Lewis acid catalyst, such as aluminum bromide, in an appropriate solvent like dichloromethane. The reaction is exothermic and should be performed under nitrogen atmosphere to avoid side reactions.

What industries use 3-Bromo-2-thiophenecarboxylic acid (CAS: 7311-64-0)?

3-Bromo-2-thiophenecarboxylic acid is used in various industries. It is a key intermediate in the synthesis of pharmaceuticals, particularly in the preparation of drugs targeting specific receptors. It is also used in the production of sensors, semiconductors, and polymers due to its unique chemical properties.

What precautions should be taken when handling 3-Bromo-2-thiophenecarboxylic acid (CAS: 7311-64-0)?

When handling 3-Bromo-2-thiophenecarboxylic acid, it is essential to use proper personal protective equipment (PPE), including gloves, goggles, and a lab coat. The compound should be stored in a fume hood to minimize exposure. In case of a spill, it should be carefully cleaned up using appropriate absorbents, and the area should be well ventilated. Always consult the Safety Data Sheet (SDS) for specific handling instructions and emergency procedures.