1-(2-Chloroethyl)-4-fluorobenzene

C₈H₈ClFCAS 332-43-4158.60 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₈H₈ClF
Molar mass: 158.60 g/mol
Exact mass: 158.0299 Da
Boiling point: 80 °C (at 30 Torr)
logP: 2.61Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation16.7% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

332-43-4

SMILES

Fc1ccc(CCCl)cc1

InChIKey

LPUURRVXQCVXCX-UHFFFAOYSA-N

InChI

InChI=1S/C8H8ClF/c9-6-5-7-1-3-8(10)4-2-7/h1-4H,5-6H2

Weigh it out

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

Names and synonyms

3 names

Benzene, 1-(2-chloroethyl)-4-fluoro-
4-Fluorophenethyl chloride
p-Fluorophenethyl chloride

Work with 1-(2-Chloroethyl)-4-fluorobenzene

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

4-Fluorobenzyl chloride352-11-464 % similar 1,1′-Methylenebis[4-fluorobenzene]457-68-155 % similar Phenylethyl chloride622-24-252 % similar 4-Fluorophenethylamine1583-88-652 % similar 1-(2-Bromoethyl)-4-fluorobenzene332-42-352 % similar 4-Fluorobenzeneethanol7589-27-752 % similar 4-Fluorobenzylamine140-75-048 % similar p-Fluorotoluene-alpha-thiol15894-04-948 % similar

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

Elsewhere

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