1-Chloro-3-ethynylbenzene

Basic Information

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CAS Number

766-83-6

Molecular Formula

C8H5Cl

Molecular Weight

16.04 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

72°C/15mmHg

Density

1.109 g/mL at 25 °C

Refractive Index

n20/D 1.5640(lit.)

SMILES

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

InChI

InChI=1S/C8H5Cl/c1-2-7-4-3-5-8(9)6-7/h1,3-6H

InChIKey

GRBJPHPMYOUMJV-UHFFFAOYSA-N

LogP

0.6361

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

131

Safety Information

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GHS Hazard Pictograms

H315

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

Synonyms & References

English

m-chlorphenylacetylen
PS-5780
CS-W004103
Z1080385596
3-Chlorophenyl acetylene
Benzene, 1-chloro-3-ethynyl-
SCHEMBL560108
3'-CHLOROPHENYL ACETYLENE
m-Chlorophenylacetylene
1-ethynyl-3-chlorobenzene
DTXSID60227413
1-chloro-3-ethynyl-benzene
AKOS010651604
FT-0630070
EN300-96281
3-Chloro-1-ethynylbenzene
1-Chloro-3-ethynylbenzene
SY030700
ethynyl-3-chlorobenzene
Q-102451
A9720
MFCD03839984
766-83-6
AM20060725
3-Chloro-1-ethynylbenzene, 97%
C3099
3-Chloro phenyl acetylene
GRBJPHPMYOUMJV-UHFFFAOYSA-N
(3-Chlorophenyl)acetylene
1-ethynyl-3-chloro-benzene
1-chloro-3-ethynylbenzene;3-Chlorophenyl acetylene

MDL Number

MFCD03839984

Customs Code

2903999090

FAQ

What are the physical and chemical properties of 1-Chloro-3-ethynylbenzene (CAS: 766-83-6)?

1-Chloro-3-ethynylbenzene (CAS: 766-83-6) is a crystalline solid with a molecular weight of approximately 133.57 g/mol. It has a low solubility in water but is more soluble in organic solvents such as ethanol and acetone. Chemically, it is relatively stable but can undergo electrophilic substitution reactions and can form explosive mixtures with air under certain conditions.

How is 1-Chloro-3-ethynylbenzene (CAS: 766-83-6) typically synthesized?

1-Chloro-3-ethynylbenzene (CAS: 766-83-6) can be synthesized by the reaction of 3-ethynylbenzene with hydrogen chloride gas. This process is carried out at room temperature and atmospheric pressure, and the use of a suitable catalyst can improve the selectivity and yield of the reaction.

What industries use 1-Chloro-3-ethynylbenzene (CAS: 766-83-6)?

1-Chloro-3-ethynylbenzene (CAS: 766-83-6) is primarily used in the pharmaceutical industry for the synthesis of various medicinal compounds. It is also utilized in the production of certain polymers and as a precursor in the development of sensors and semiconductors.

What precautions should be taken when handling 1-Chloro-3-ethynylbenzene (CAS: 766-83-6)?

When handling 1-Chloro-3-ethynylbenzene (CAS: 766-83-6), it is important to wear appropriate personal protective equipment (PPE) such as gloves and safety glasses. Work should be conducted in a well-ventilated area or a fume hood to prevent inhalation. In case of a spill, avoid contact with skin and eyes, and clean up using appropriate absorbents. Always refer to the Safety Data Sheet (SDS) for detailed emergency procedures and storage guidelines.