Tetrabromothiophene

Basic Information

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CAS Number

3958-03-0

Molecular Formula

C4Br4S

Molecular Weight

399.73 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

116-118 °C

Boiling Point

326 °C

Water Solubility

Insoluble in water. Soluble in organic solvents.

Flash Point

324-327°C

Refractive Index

1.697

SMILES

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C1(=C(SC(=C1Br)Br)Br)Br

InChI

InChI=1S/C4Br4S/c5-1-2(6)4(8)9-3(1)7

InChIKey

AVPWUAFYDNQGNZ-UHFFFAOYSA-N

LogP

4.7981

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

96.7

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

Hazard Class

Class LIGHT SENSITIVE Class LIGHT SENSITIVE

Synonyms & References

English

SCHEMBL1156713
NSC65427
SY048462
T1149
AC-907/25014010
3958-03-0
CS-M0597
NCIOpen2_008235
Tetrabromothiophene
AC-4924
AMY23395
AS-17329
NS00030615
A6618
DTXSID40192695
Thiophene, tetrabromo-
NSC-65427
tetrabromthiophen
2,4,5-Tetrabromothiophene
2,3,4,5-Tetrabromothiophene
W-106420
CHEMBL87453
Tetrabromothiophene, Vetec(TM) reagent grade, 98%
MFCD00005419
NSC 65427
EN300-85067
Tetrabromothiophene, ReagentPlus(R), 99%
2,3,4,5-Tetrabromo-thiophene
FT-0635073
EINECS 223-554-7
Perbromothiophene

MDL Number

MFCD00005419

Customs Code

2934999090

FAQ

What are the physical and chemical properties of Tetrabromothiophene (CAS: 3958-03-0)?

Tetrabromothiophene (CAS: 3958-03-0) is a crystalline compound with a molecular weight of approximately 273.08 g/mol. It is poorly soluble in water but soluble in common organic solvents like benzene, chloroform, and acetone. Chemically, it is highly reactive, particularly towards nucleophiles and reducing agents.

How is tetrabromothiophene (CAS: 3958-03-0) typically synthesized?

Tetrabromothiophene can be synthesized by reacting thiophene with bromine in the presence of a Lewis acid catalyst such as iron(III) bromide. The reaction is typically performed in a solvent like dichloromethane, leading to a fairly high yield of the product with good selectivity.

What industries use tetrabromothiophene (CAS: 3958-03-0)?

Tetrabromothiophene is used in various industries, including pharmaceuticals, where it can be a component in certain formulations, and in the production of polymers and semiconductors, where its unique electronic properties make it valuable for certain applications.

What precautions should be taken when handling tetrabromothiophene (CAS: 3958-03-0)?

When handling tetrabromothiophene, wear appropriate personal protective equipment (PPE) including gloves, safety goggles, and a lab coat. Ensure the work is conducted in a fume hood due to its volatility. Keep the substance away from sources of heat and sparks. In case of a spill, immediately clean up using appropriate absorbents and follow the safety data sheet (SDS) guidelines for disposal.