4-Bromo-1-benzothiophene

Basic Information

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CAS Number

5118-13-8

Molecular Formula

C8H5BrS

Molecular Weight

213.1 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

34-37°C

Boiling Point

284.7°C at 760 mmHg

Flash Point

126℃

SMILES

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C1=CC2=C(C=CS2)C(=C1)Br

InChI

InChI=1S/C8H5BrS/c9-7-2-1-3-8-6(7)4-5-10-8/h1-5H

InChIKey

QPBSEYFVZDMBFW-UHFFFAOYSA-N

LogP

3.663800000000001

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

126

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-bromobenzo[b]-thiophene
SY013869
RB3307
4-Bromo-1-benzothiophene
PB20282
AM90104
4-bromo-benzo(b)thiophene
EN300-108033
4-Bromobenzo[b]thiophene
4-Bromo-benzo[b]thiophene
QPBSEYFVZDMBFW-UHFFFAOYSA-N
5118-13-8
AKOS005256733
MFCD08669544
CS-W019783
FT-0696229
4-BROMOBENZOTHIOPHENE
PS-7977
SCHEMBL295451
BCP06885
DTXSID40477434
Benzo[b]thiophene, 4-bromo-
4-bromo-1-benzothiophene
4-bromo-Benzo[b]thiophene
4-Bromobenzothiophene

MDL Number

MFCD08669544

Customs Code

2934999090

FAQ

What is 4-Bromo-1-benzothiophene (CAS: 5118-13-8)?

4-Bromo-1-benzothiophene is an organic compound with the chemical formula C9H8BrS. It is a brominated derivative of benzothiophene, characterized by a thiophene ring fused to a benzene ring with a bromine atom at the 4-position. It is typically a yellow solid with a moderate boiling point and is used in various chemical applications due to its reactivity and structural versatility.

What are the main uses of 4-Bromo-1-benzothiophene (CAS: 5118-13-8)?

4-Bromo-1-benzothiophene is primarily used in pharmaceutical research as a building block for drug development. It also finds applications in organic synthesis, materials science, and as an intermediate in the production of dyes and pesticides. Its unique structure makes it valuable in the design of bioactive molecules and functional materials.

Is 4-Bromo-1-benzothiophene (CAS: 5118-13-8) safe?

4-Bromo-1-benzothiophene is considered to have moderate toxicity and should be handled with appropriate safety measures. It is recommended to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It is not classified as highly hazardous but should be stored and used in accordance with safety regulations to minimize exposure and health risks.

How should 4-Bromo-1-benzothiophene (CAS: 5118-13-8) be stored?

4-Bromo-1-benzothiophene should be stored in a cool, dry, and well-ventilated place, away from light and moisture. It is best kept in a sealed container at a temperature below 25°C. Avoid exposure to air and incompatible substances to maintain its stability and ensure safe handling.