Phenylacetyl chloride
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
Hazards
Danger
- H314 Causes severe skin burns and eye damage100% of notifiers
- H335 May cause respiratory irritation66.2% of notifiers
Aggregated from 65 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, P501
Identifiers
CAS number
103-80-0SMILES
O=C(Cl)Cc1ccccc1InChIKey
VMZCDNSFRSVYKQ-UHFFFAOYSA-NInChI
InChI=1S/C8H7ClO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2Weigh 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
4-Bromophenylacetyl chloride37859-24-861 % similar
2-(4-Fluorophenyl)acetyl chloride459-04-161 % similar
2-Naphthaleneacetyl chloride37859-25-960 % similar
Benzyloxyacetyl chloride19810-31-257 % similar
Dibenzyl ketone102-04-556 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.