chempirical

Phenacyl chloride

C8H7ClOCAS 532-27-4154.59 g/mol

Open in Covalent MOL file
OCl
Alkyl halideKetone

Properties

Molecular formula
C8H7ClO
Molar mass
154.59 g/mol
Exact mass
154.0185 Da
Density
1.324 g/mL (at 15 °C)
Melting point
54–59 °C
Boiling point
244–245 °C
logP
2.11Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
532-27-4
SMILES
O=C(CCl)c1ccccc1
InChIKey
IMACFCSSMIZSPP-UHFFFAOYSA-N
InChI
InChI=1S/C8H7ClO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2

Weigh it out

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

Names and synonyms

28 names · show all
  • Ethanone, 2-chloro-1-phenyl-
  • Acetophenone, 2-chloro-
  • Acetophenone, α-chloro-
  • 2-Chloro-1-phenylethanone
  • CAF
  • 2-Chloroacetophenone
  • α-Chloroacetophenone
  • ω-Chloroacetophenone
  • CN
  • Phenyl chloromethyl ketone
  • Chloracetophenone
  • Mace (lacrimator)
  • 1-Phenyl-2-chloro-1-ethanone
  • Chloromethyl phenyl ketone
  • Mace
  • Chloroacetophenone
  • CN (lacrimator)
  • (2-Chloro-1-oxoethyl)benzene
  • Benzoylmethyl chloride
  • CAP
  • 2-Chloro-1-phenyl-1-ethanone
  • NSC 41666
  • CNB
  • CNC
  • Agent CNB
  • Agent CNC
  • CNB (chemical warfare agent)
  • (Chloroacetyl)benzene

Work with Phenacyl 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

4-Phenylphenacyl chloride635-84-777 % similar 3-Chloropropiophenone936-59-463 % similar 2,4′-Dichloroacetophenone937-20-263 % similar 1,4-Diphenyl-1,4-butanedione495-71-663 % similar 1-(4-Bromophenyl)-2-chloroethanone4209-02-361 % similar 2-Chloro-1-(4-methylphenyl)ethanone4209-24-961 % similar 2-Chloro-4′-fluoroacetophenone456-04-261 % similar 2-Chloro-1-(4-hydroxyphenyl)ethanone6305-04-061 % similar

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

Same formula

Phenylacetyl chloride103-80-0 2-Chloro-6-methylbenzaldehyde1194-64-5 3-Methylbenzoyl chloride1711-06-4 2′-Chloroacetophenone2142-68-9 4-Chlorostyrene oxide2788-86-5 4-Methylbenzoyl chloride874-60-2 2-Methylbenzoyl chloride933-88-0 1-(3-Chlorophenyl)ethanone99-02-5

Elsewhere

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