(3-Chloro-1-propen-1-yl)benzene

Basic Information

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CAS Number

2687-12-9

Molecular Formula

C9H9Cl

Molecular Weight

152.62 g/mol

Chemical Classification

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

−19 °C

Boiling Point

136°C/37mmHg

Water Solubility

0.2 g/L (20 ºC)

Refractive Index

n20/D 1.584(lit.)

Vapor Pressure

0.1±0.5 mmHg at 25°C

SMILES

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C1=CC=C(C=C1)C=CCCl

InChI

InChI=1S/C9H9Cl/c10-8-4-7-9-5-2-1-3-6-9/h1-7H,8H2

InChIKey

IWTYTFSSTWXZFU-UHFFFAOYSA-N

LogP

2.938600000000002

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

101

Safety Information

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GHS Hazard Pictograms

H302

H314

H330

H334

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

H330 Fatal if inhaled
Acute toxicity, inhalation

H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled
Sensitization, respiratory

Hazard Class

Class 8 Class 8

Sensitiveness

Lachrymatory

Synonyms & References

English

(E)-3-Chloro-1-phenylpropene
InChI=1/C9H9Cl/c10-8-4-7-9-5-2-1-3-6-9/h1-7H,8H2/b7-4
(3-Chloropropenyl)benzene
Benzene, [(1E)-3-chloro-1-propen-1-yl]-
C1235
1-Propene, 3-chloro-1-phenyl-
benzene, [(1E)-3-chloro-1-propenyl]-
SCHEMBL39674
Cinnamyl chloride, 95%, stab. with sodium carbonate
UNII-2I1ADL56TX
.BETA.-CHLOROMETHYLSTYRENE
(E)-(3-chloro-1-propenyl)benzene
(3-chloroprop-1-en-1-yl)benzene
CS-W014342
Benzene, (3-chloro-1-propen-1-yl)-
(Chloromethyl)styrene
21087-29-6
Benzene, ((1E)-3-chloro-1-propenyl)-
beta-Chloromethylstyrene
Cinnamyl chloride, 95%
NSC 5599
3-Phenyl-2-propenyl chloride
((1E)-3-chloro-1-propenyl)benzene
F2190-0177
?Cinnamyl chloride
[3-Chloro-1-propenyl]benzene #
trans-3-Chloro-1-phenylpropene
(3-Chloroprop-1-enyl)benzene
3-Chloro-1-phenyl-1-propene
(E)-(3-Chloroprop-1-en-1-yl)benzene
(E)-(3-chloroprop-1-enyl)benzene

MDL Number

MFCD00000986

Customs Code

2942000000

FAQ

What are the physical and chemical properties of (3-Chloro-1-propen-1-yl)benzene (CAS: 2687-12-9)?

(3-Chloro-1-propen-1-yl)benzene (CAS: 2687-12-9) is a colorless liquid with a pungent odor. It has a molecular weight of approximately 139.61 g/mol. The compound is slightly soluble in water but readily soluble in organic solvents. It is moderately reactive towards nucleophiles and can undergo electrophilic aromatic substitution reactions. It has a melting point of -12°C and a boiling point of 124°C.

How is (3-Chloro-1-propen-1-yl)benzene (CAS: 2687-12-9) typically synthesized?

(3-Chloro-1-propen-1-yl)benzene (CAS: 2687-12-9) is usually synthesized via the reaction of phenylmagnesium bromide with propionaldehyde chloride, followed by acid workup. The reaction conditions typically involve the use of a Lewis acid catalyst such as zinc chloride to improve the yield and selectivity. The process requires precise control of temperature and reagent concentration to achieve high purity.

What industries use (3-Chloro-1-propen-1-yl)benzene (CAS: 2687-12-9)?

(3-Chloro-1-propen-1-yl)benzene (CAS: 2687-12-9) is primarily used in the manufacturing of pharmaceuticals, where it serves as a precursor for the synthesis of various drugs. It is also utilized in the production of polymers, sensors, and as a solvent in semiconductor manufacturing. Its unique chemical properties make it a valuable reagent in organic synthesis and industrial applications.

What precautions should be taken when handling (3-Chloro-1-propen-1-yl)benzene (CAS: 2687-12-9)?

When handling (3-Chloro-1-propen-1-yl)benzene (CAS: 2687-12-9), it is important to use appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work must be conducted in a well-ventilated area or fume hood to minimize inhalation risk. Spills should be cleaned up immediately using appropriate absorbents and disposing of them according to local regulations. Always refer to the safety data sheet (SDS) for detailed handling and disposal information.