4-Bromo-3-thiophenecarboxylic acid

Basic Information

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CAS Number

16694-17-0

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

Physical State

Yellow to Brown Solid

Melting Point

158-163 °C

Boiling Point

318℃ at 760 mmHg

Flash Point

146.1°C

Refractive Index

1.65

SMILES

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C1=C(C(=CS1)Br)C(=O)O

InChI

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

InChIKey

APBIZVFQQBCAAT-UHFFFAOYSA-N

LogP

2.2088

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

128

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

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

Synonyms & References

English

4-Bromo-3-thiophenecarboxylic acid, 97%
4-bromothiophene-3-carboxylic acid
DTXSID50168205
AKOS005166841
4-Bromo-thiophene-3-carboxylic acid
AM81153
AC-30522
3-bromo-4-thiophenecarboxylic acid
UNII-FX6W43FRG7
FT-0637401
4-Bromo-3-thiophenecarboxylic acid
4-Bromo-3-thenoic acid
FS-3758
4-bromo-3-thiophene-carboxylic acid
3-Thiophenecarboxylic acid, 4-bromo-
16694-17-0
4-bromothiophene-3-carboxylicacid
EN300-109904
SCHEMBL2778839
4-bromothiophen-3-carboxylic acid
4-bromo-thiophene 3-carboxylic acid
EINECS 240-739-8
BCP07136
MFCD01233020
APBIZVFQQBCAAT-UHFFFAOYSA-N
NS00025462
PB14213
3-Thiophenecarboxylicacid,4-bromo-
FX6W43FRG7
CS-D0118
Z1269130192

MDL Number

MFCD01233020

Customs Code

2934999090

FAQ

What is 4-Bromo-3-thiophenecarboxylic acid (CAS: 16694-17-0)?

4-Bromo-3-thiophenecarboxylic acid (CAS: 16694-17-0) is an organic compound with the molecular formula C7H5BrNO2. It is a thiophene derivative with a bromine substituent at the 4-position and a carboxylic acid group at the 3-position. This compound is colorless or white crystalline solid with a strong odor.

What are the main uses of 4-Bromo-3-thiophenecarboxylic acid (CAS: 16694-17-0)?

4-Bromo-3-thiophenecarboxylic acid (CAS: 16694-17-0) is primarily used as a precursor in the synthesis of other organic compounds, particularly in the pharmaceutical industry. It is also used in research for synthesizing various functional groups and in the development of new materials.

Is 4-Bromo-3-thiophenecarboxylic acid (CAS: 16694-17-0) safe?

4-Bromo-3-thiophenecarboxylic acid (CAS: 16694-17-0) can be handled safely with appropriate precautions. It should be stored in a cool, dry place, away from direct sunlight and sources of ignition. Protective gloves and goggles should be worn during handling to prevent skin and eye contact. Good ventilation is recommended during use.

How should 4-Bromo-3-thiophenecarboxylic acid (CAS: 16694-17-0) be stored?

4-Bromo-3-thiophenecarboxylic acid (CAS: 16694-17-0) should be stored in a cool, dry place, ideally between 15°C and 25°C. The container should be tightly sealed to prevent moisture absorption. It should be kept away from direct sunlight and sources of ignition. Use appropriate storage containers that are airtight and made of compatible materials to ensure safety and prevent contamination.