Phenacyl chloride

C₈H₇ClOCAS 532-27-4154.59 g/mol

Open in Covalent MOL file

Alkyl halide Ketone

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
Flash point: 118 °C (closed cup)
Water solubility: 16.4 g/L (25 °C)
logP: 2.11Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Danger

H300 Fatal if swallowed100% of notifiers
H311 Toxic in contact with skin74.1% of notifiers
H315 Causes skin irritation94.4% of notifiers
H317 May cause an allergic skin reaction18.5% of notifiers
H318 Causes serious eye damage92.6% of notifiers
H330 Fatal if inhaled13% of notifiers
H331 Toxic if inhaled75.9% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled85.2% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 54 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P302+P352, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P330, P332+P317, P333+P317, P342+P316, P361+P364, P362+P364, P403, P403+P233, P405, P501

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 Dibenzoylmethane120-46-763 % similar 1,4-Diphenyl-1,4-butanedione495-71-663 % similar 2,3'-Dichloroacetophenone21886-56-662 % similar 1-(4-Bromophenyl)-2-chloroethanone4209-02-361 % similar 2-Chloro-1-(4-methylphenyl)ethanone4209-24-961 % 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 3-Chloro-4-methylbenzaldehyde3411-03-8 4-Chloro-2-methylbenzaldehyde40137-29-9 (R)-(+)-3-Chlorostyrene oxide62600-71-9

Elsewhere

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