chempirical

Phenylacetyl chloride

C8H7ClOCAS 103-80-0154.59 g/mol

Open in Covalent MOL file
OCl
Acyl halide

Properties

Molecular formula
C8H7ClO
Molar mass
154.59 g/mol
Exact mass
154.0185 Da
Melting point
264–266 °C
Boiling point
170 °C
logP
1.99Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
103-80-0
SMILES
O=C(Cl)Cc1ccccc1
InChIKey
VMZCDNSFRSVYKQ-UHFFFAOYSA-N
InChI
InChI=1S/C8H7ClO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2

Weigh it out

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

Names and synonyms

9 names
  • Benzeneacetyl chloride
  • Acetyl chloride, phenyl-
  • Phenacetyl chloride
  • Phenylacetic acid chloride
  • α-Phenylacetyl chloride
  • Phenylacetic chloride
  • 2-Phenylacetyl chloride
  • 2-Phenylethanoyl chloride
  • 2-Phenylacetic acid chloride

Work with Phenylacetyl 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

Benzenepropanoyl chloride645-45-465 % similar Benzenebutanoyl chloride18496-54-363 % similar 4-Chlorobenzeneacetyl chloride25026-34-063 % similar 2-(4-Fluorophenyl)acetyl chloride459-04-161 % similar 2-Naphthaleneacetyl chloride37859-25-960 % similar Dibenzyl ketone102-04-556 % similar 4-Methoxybenzeneacetyl chloride4693-91-855 % similar 2-Fluorobenzeneacetyl chloride451-81-052 % similar

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

Same formula

2-Chloro-6-methylbenzaldehyde1194-64-5 3-Methylbenzoyl chloride1711-06-4 2′-Chloroacetophenone2142-68-9 4-Chlorostyrene oxide2788-86-5 Phenacyl chloride532-27-4 4-Methylbenzoyl chloride874-60-2 2-Methylbenzoyl chloride933-88-0 1-(3-Chlorophenyl)ethanone99-02-5

Elsewhere

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