1-(Chloromethyl)-3-ethylbenzene

Basic Information

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CAS Number

26968-58-1

Molecular Formula

C9H11Cl

Molecular Weight

154.64 g/mol

EINECS

248-148-7

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

-21 °C

Boiling Point

111 °C

Density

1.031

Flash Point

82.7 °C

Refractive Index

1.518

SMILES

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CCc1cccc(c1)CCl

InChI

InChI=1S/C9H11Cl/c1-2-8-4-3-5-9(6-8)7-10/h3-6H,2,7H2,1H3

InChIKey

ONGBRSYRDRQMBB-UHFFFAOYSA-N

LogP

2.987800000000002

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

90.7

Synonyms & References

English

(chloromethyl)ethyl-benzen
P-ETHYLBENZYL CHLORIDE
Ethylbenzyl chloride, isomer mixture
ETHYLBENZYLCHLORIDE (MIXTURE OF ISOMERS)
Ethyl Benzyl Chlorides
Toluene, a-chloro-ar-ethyl-
α-Chloro-ar-ethyltoluene
Ethylbenzyl Chloride (EBC)
Benzene,(chloromethyl)ethyl
(Chloromethyl)ethyl-benzene
Ethylbenzyl chloride
4-ETHYLBENZYL CHLORIDE
EBC
Toluene,a-chloro-ar-ethyl

MDL Number

MFCD00039357

EC Number

248-148-7

FAQ

What are the physical and chemical properties of 1-(Chloromethyl)-3-ethylbenzene (CAS: 26968-58-1)?

1-(Chloromethyl)-3-ethylbenzene (CAS: 26968-58-1) is a crystalline solid with a molecular weight of 168.64 g/mol. It has a moderate solubility in common organic solvents such as ethanol and acetone. The compound is reactive towards nucleophiles due to the presence of the chloromethyl group. It is less reactive towards electrophiles due to the electron-donating nature of the ethyl group.

How is 1-(Chloromethyl)-3-ethylbenzene (CAS: 26968-58-1) typically synthesized?

1-(Chloromethyl)-3-ethylbenzene is typically synthesized through the reaction of 3-ethylbenzyl chloride with sodium ethoxide in an ethanol solution. This method provides a high yield of the desired product, with good selectivity. The reaction is conducted under mild conditions and requires minimal catalysts.

What industries use 1-(Chloromethyl)-3-ethylbenzene (CAS: 26968-58-1)?

1-(Chloromethyl)-3-ethylbenzene is used in various industries, including pharmaceuticals, where it serves as a precursor for synthesizing complex molecules. It is also used in the synthesis of certain polymers and as a building block in sensor technology. Its applicability in semiconductor manufacturing processes is also noteworthy.

What precautions should be taken when handling 1-(Chloromethyl)-3-ethylbenzene (CAS: 26968-58-1)?

When handling 1-(Chloromethyl)-3-ethylbenzene (CAS: 26968-58-1), it is important to use appropriate personal protective equipment (PPE), including gloves and safety glasses. The substance should be handled in a well-ventilated area or a fume hood to minimize exposure. In case of a spill, it is crucial to follow proper spill cleanup procedures and refer to the safety data sheet (SDS) for detailed instructions. Always ensure proper storage and disposal according to regulatory requirements.