4-(2-Chloroethyl)acetophenone

C₁₀H₁₁ClOCAS 69614-95-5182.65 g/mol

Open in Covalent MOL file

Alkyl halide Ketone

Properties

Molecular formula: C₁₀H₁₁ClO
Molar mass: 182.65 g/mol
Exact mass: 182.0498 Da
logP: 2.67Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number

69614-95-5

SMILES

CC(=O)C1=CC=C(C=C1)CCCl

InChIKey

RGVUACHOYCYNMB-UHFFFAOYSA-N

InChI

InChI=1S/C10H11ClO/c1-8(12)10-4-2-9(3-5-10)6-7-11/h2-5H,6-7H2,1H3

Weigh it out

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

Names and synonyms

1 names

4'-(Beta-Chloroethyl)acetophenone

Work with 4-(2-Chloroethyl)acetophenone

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

1-(4-Propylphenyl)ethanone2932-65-263 % similar 1,4-Diacetylbenzene1009-61-660 % similar 4′-Ethylacetophenone937-30-460 % similar 1-(4-Butylphenyl)ethanone37920-25-559 % similar 1-(4-Pentylphenyl)ethanone37593-02-558 % similar P-Octylacetophenone10541-56-756 % similar 1-(4-Hexylphenyl)ethanone37592-72-656 % similar 1-(4-Heptylphenyl)ethanone37593-03-656 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Benzenebutanoyl chloride18496-54-3 α-Ethylbenzeneacetyl chloride36854-57-6 1-(4-Chlorophenyl)-1-butanone4981-63-9 4-Propylbenzoyl chloride52710-27-7 2,4,6-Trimethylbenzoyl chloride938-18-1 4-Chlorobutyrophenone939-52-6

Elsewhere

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