1-Bromo-3-ethynylbenzene

Basic Information

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CAS Number

766-81-4

Molecular Formula

C8H5Br

Molecular Weight

181.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

Liquid

Boiling Point

211.8°C at 760 mmHg

Density

1.4466

Refractive Index

1.5896

SMILES

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C#CC1=CC(=CC=C1)Br

InChI

InChI=1S/C8H5Br/c1-2-7-4-3-5-8(9)6-7/h1,3-6H

InChIKey

TZDXNFAAJNEYIO-UHFFFAOYSA-N

LogP

2.43040

Complexity

131

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

(3-bromophenyl)acetylene
AKOS005146038
3'-bromophenyl acetylene, AldrichCPR
3-bromo-1-ethynylbenzene
MFCD03839983
1-bromo-3-ethynylbenzene
SCHEMBL1786004
beta-bromophenylacetylene
1-bromo-3-ethynyl-benzene
SY047048
3-Bromophenylacetylene
CS-W018828
EN300-96217
DTXSID10467201
A9718
TZDXNFAAJNEYIO-UHFFFAOYSA-N
DS-13509
m-Bromophenylacetylene
B5198
766-81-4
Q-102448
3'-Bromophenylacetylene
FT-0632913
3'-Bromophenyl acetylene
1-Bromo-3-ethynylbenzene
C8H5Br
1-BROMO-3-ETHYNYL-BENZENE
Benzene, 1-bromo-3-ethynyl-
(3-Bromophenyl)ethyne
PubChem19784
1-ethynyl-3-bromobenzene

MDL Number

MFCD03839983

Customs Code

2903999090

FAQ

What are the physical and chemical properties of 1-Bromo-3-ethynylbenzene (CAS: 766-81-4)?

1-Bromo-3-ethynylbenzene (CAS: 766-81-4) is a crystalline solid with a molecular weight of approximately 171.03 g/mol. It is slightly soluble in water but soluble in organic solvents like ethanol and acetone. Chemically, it is highly reactive with nucleophiles and can undergo electrophilic aromatic substitution and addition reactions. Its density is around 1.12 g/cm³.

How is 1-Bromo-3-ethynylbenzene (CAS: 766-81-4) typically synthesized?

1-Bromo-3-ethynylbenzene (CAS: 766-81-4) is typically synthesized by reacting ethynylbenzene with bromine in the presence of a Lewis acid catalyst such as iron(III) bromide. The reaction is performed under anhydrous conditions to achieve good selectivity and yield. The product can be isolated by crystallization from a suitable solvent.

What industries use 1-Bromo-3-ethynylbenzene (CAS: 766-81-4)?

1-Bromo-3-ethynylbenzene (CAS: 766-81-4) is used in various industries. It serves as a precursor in the synthesis of pharmaceuticals, polymers, and organic semiconductors. Additionally, it is employed in the development of sensors and as an intermediate in chemical processes.

What precautions should be taken when handling 1-Bromo-3-ethynylbenzene (CAS: 766-81-4)?

When handling 1-Bromo-3-ethynylbenzene (CAS: 766-81-4), it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood to prevent inhalation. Spills should be immediately cleaned up with appropriate chemicals, and the area should be well-ventilated. Always consult the Safety Data Sheet (SDS) for detailed safety information and procedures.