2,5-Dibromo-3-hexylthiophene

Basic Information

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CAS Number

116971-11-0

Molecular Formula

C10H14Br2S

Molecular Weight

326.09 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

No data available

Boiling Point

317.2°C at 760 mmHg

Refractive Index

n20/D 1.557(lit.)

SMILES

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CCCCCCC1=C(SC(=C1)Br)Br

InChI

InChI=1S/C10H14Br2S/c1-2-3-4-5-6-8-7-9(11)13-10(8)12/h7H,2-6H2,1H3

InChIKey

NSYFIAVPXHGRSH-UHFFFAOYSA-N

LogP

5.39590

Complexity

141

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

AMY10866
AS-2036
FD14058
SCHEMBL197683
C10H14Br2S
A2411
2,5-Dibromo-3-hexylthiophene
FT-0600560
BIDD:GT0290
J-507293
MFCD00274313
AKOS005257796
D3896
156074-98-5
NSYFIAVPXHGRSH-UHFFFAOYSA-N
Thiophene, 2,5-dibromo-3-hexyl-
DTXSID50888890
2,5-Dibromo-3-hexylthiophene, 97%
SY035590
2,5-Dibromo-3-hex-1-ylthiophene
116971-11-0
CS-W009865
AC-4938
2,4-DICHLORO-D-BETA-HOMOPHENYLALANINE HYDROCHLORIDE
2,5-Dibromo-3-hexylt
2,5-dibromo-3-hexyl-thiophene
2,5-dibromo-3-n-hexylthiophene
3-BroMo-9-phenylcarbazole
3-BroMo-N-phenylcarbazole
DibroMo-3-hexylthioph
Thiophene,2,5-dibroMo-3-hexyl-

MDL Number

MFCD00274313

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 2,5-Dibromo-3-hexylthiophene (CAS: 116971-11-0)?

2,5-Dibromo-3-hexylthiophene is a crystalline compound with a molecular weight of approximately 314.13 g/mol. It has low water solubility, making it slightly soluble in polar organic solvents. Chemically, it is relatively unreactive, showing limited reactivity under normal conditions. It is typically prepared in a solid form for storage and use.

How is 2,5-Dibromo-3-hexylthiophene (CAS: 116971-11-0) typically synthesized?

2,5-Dibromo-3-hexylthiophene is synthesized by bromination of 3-hexylthiophene with bromine in the presence of a phase transfer catalyst. The reaction typically proceeds with high selectivity and moderate to good yield. A common method involves using n-butyltrimethylammonium bromide as the catalyst.

What industries use 2,5-Dibromo-3-hexylthiophene (CAS: 116971-11-0)?

2,5-Dibromo-3-hexylthiophene is primarily used in the pharmaceutical industry for the synthesis of certain drugs, as well as in the polymer industry for the production of functional polymers. It also finds applications in the development of sensors and semiconductors for electronic devices.

What precautions should be taken when handling 2,5-Dibromo-3-hexylthiophene (CAS: 116971-11-0)?

Proper handling of 2,5-Dibromo-3-hexylthiophene requires the use of personal protective equipment (PPE), including gloves, goggles, and a lab coat. It should be conducted in a well-ventilated area or a fume hood. In case of a spill, it should be cleaned up using appropriate absorbent materials. For detailed safety information, refer to the Safety Data Sheet (SDS).