1-Phenylethyl chloride

C₈H₉ClCAS 672-65-1140.61 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₉Cl
Molar mass: 140.61 g/mol
Exact mass: 140.0393 Da
Density: 1.0631 g/mL (at 20 °C)
Melting point: 46–47 °C
Boiling point: 85 °C (at 20 Torr)
logP: 2.99Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Danger

H226 Flammable liquid and vapor100% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage97.6% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled97.6% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P280, P284, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P342+P316, P362+P364, P370+P378, P403, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

672-65-1

SMILES

CC(Cl)c1ccccc1

InChIKey

GTLWADFFABIGAE-UHFFFAOYSA-N

InChI

InChI=1S/C8H9Cl/c1-7(9)8-5-3-2-4-6-8/h2-7H,1H3

Weigh it out

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

Names and synonyms

14 names · show all

Benzene, (1-chloroethyl)-
Benzene, (α-chloroethyl)-
(1-Chloroethyl)benzene
α-Methylbenzyl chloride
α-Phenylethyl chloride
α-Phenethyl chloride
1-Chloro-1-phenylethane
(α-Chloroethyl)benzene
1-Phenyl-1-chloroethane
1-Phenethyl chloride
α-Chloro-α-methyltoluene
(±)-1-Phenylethyl chloride
(RS)-Phenethyl chloride
(±)-1-Chloro-1-phenylethane

Work with 1-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Benzal chloride29797-40-850 % similar 1,1-Diphenylethane612-00-050 % similar Chlorodiphenylmethane90-99-350 % similar Cumene98-82-850 % similar Benzal chloride98-87-350 % similar sec-Butylbenzene135-98-846 % similar (1-Ethylpropyl)benzene1196-58-344 % similar 1-Phenylethanol13323-81-444 % 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 Phenylethyl chloride622-24-2 1-Chloro-4-ethylbenzene622-98-0

Elsewhere

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