1-Bromo-2-ethynylbenzene

Basic Information

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CAS Number

766-46-1

Molecular Formula

C8H5Br

Molecular Weight

171.04 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

Pale-yellow to Yellow-brown Liquid

Boiling Point

94°C/20mmHg

Density

1.443 g/mL at 25 °C

Refractive Index

n20/D 1.595(lit.)

SMILES

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C#CC1=CC=CC=C1Br

InChI

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

InChIKey

RVDOYUFNRDGYGU-UHFFFAOYSA-N

LogP

2.7575200000000013

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

131

Safety Information

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Hazard Statement

H227 Combustible liquid
Flammable liquids

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Stability

Light and Temperature Sensitive.

Synonyms & References

English

2-bromo-1-ethynylbenzene
SCHEMBL1799433
1-Bromo-2-ethynylbenzene, 95%
Q-102447
9-OXO-11ALPHA,15S-DIHYDROXY-PROSTA-5Z,13E,17Z-TRIEN-1-OICACID
MFCD01863358
AKOS015835891
AC-19412
FT-0611597
InChI=1/C8H5Br/c1-2-7-5-3-4-6-8(7)9/h1,3-6
SY036900
766-46-1
1-Bromo-2-EthynYl-Benzene
CS-0028333
o-bromphenylacetylen
1-Bromo-2-ethynylbenzene;2'-BROMOPHENYL ACETYLENE
DTXSID00345140
AMY9058
2'-bromophenylacetylene
B4608
1-Bbromo-2-ethynylbenzene
EN300-210947
2-bromophenylacetylene
A9713
1-Bromo-2-ethynylbenzene
2'-Bromophenyl acetylene
DS-13508
1-BROMO-2-ETHYNYLBENZENE
2-BROMOPHENYLACETYLENE
2'-BROMOPHENYL ACETYLENE
Benzene, 1-broMo-2-ethynyl-

MDL Number

MFCD01863358

Customs Code

2903999090

FAQ

What are the physical and chemical properties of 1-Bromo-2-ethynylbenzene (CAS: 766-46-1)?

1-Bromo-2-ethynylbenzene is a crystalline solid with a molecular weight of approximately 175.01 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and acetone. It is moderately reactive, especially towards nucleophiles and reducing agents. The compound can undergo electrophilic aromatic substitution and addition reactions.

How is 1-Bromo-2-ethynylbenzene (CAS: 766-46-1) typically synthesized?

1-Bromo-2-ethynylbenzene can be synthesized through the reaction of bromine and ethynylbenzene under mild conditions. The synthesis involves the electrophilic aromatic substitution of bromine into the ethynyl group. Common methods include the use of iron as a catalyst to promote the reaction at room temperature with high yield and good selectivity.

What industries use 1-Bromo-2-ethynylbenzene (CAS: 766-46-1)?

1-Bromo-2-ethynylbenzene is primarily used in the pharmaceutical, polymer, and sensor industries. It serves as a precursor for the synthesis of various pharmaceuticals, contributes to the development of functional polymers, and is used in the fabrication of chemical sensors due to its unique reactivity and structural features.

What precautions should be taken when handling 1-Bromo-2-ethynylbenzene (CAS: 766-46-1)?

When handling 1-Bromo-2-ethynylbenzene, it is crucial to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure to vapors. Spills should be immediately cleaned up using appropriate absorbents, and the area should be well-ventilated. Refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.