Phenylethyl chloride

C₈H₉ClCAS 622-24-2140.61 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₉Cl
Molar mass: 140.61 g/mol
Exact mass: 140.0393 Da
Density: 1.0623 g/mL (at 20 °C)
Melting point: 171.5 °C
Boiling point: 197 °C
logP: 2.47Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

Identifiers

CAS number

622-24-2

SMILES

ClCCc1ccccc1

InChIKey

MNNZINNZIQVULG-UHFFFAOYSA-N

InChI

InChI=1S/C8H9Cl/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

11 names

Benzene, (2-chloroethyl)-
Benzene, (β-chloroethyl)-
(2-Chloroethyl)benzene
Phenethyl chloride
1-Chloro-2-phenylethane
β-Phenethyl chloride
2-Phenylethyl chloride
2-Phenyl-1-chloroethane
β-Phenylethyl chloride
(β-Chloroethyl)benzene
NSC 27886

Work with Phenylethyl chloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Chloro-3-phenylpropane104-52-974 % similar 1-Chloro-4-phenylbutane4830-93-770 % similar Bibenzyl103-29-759 % similar 1,3-Diphenylpropane1081-75-056 % similar Benzyl chloride100-44-755 % similar 1-(2-Chloroethyl)-4-fluorobenzene332-43-452 % similar Diphenylmethane101-81-547 % similar N-Benzylbis(2-chloroethyl)amine hydrochloride10429-82-046 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Methylbenzyl chloride104-82-5 2-Methylbenzyl chloride552-45-4 1-Chloro-3,5-dimethylbenzene556-97-8 1-Chloro-2,3-dimethylbenzene608-23-1 4-Chloro-1,2-dimethylbenzene615-60-1 3-Methylbenzyl chloride620-19-9 1-Chloro-4-ethylbenzene622-98-0 1-Phenylethyl chloride672-65-1

Elsewhere

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