2-Bromo-1-(4-chlorophenyl)-1-propanone

C₉H₈BrClOCAS 877-37-2247.52 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ketone

Properties

Molecular formula: C₉H₈BrClO
Molar mass: 247.52 g/mol
Exact mass: 245.9447 Da
Melting point: 77–79 °C
logP: 3.31Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled33.3% of notifiers
H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

877-37-2

SMILES

CC(Br)C(=O)c1ccc(Cl)cc1

InChIKey

SAKMPXRILWVZEG-UHFFFAOYSA-N

InChI

InChI=1S/C9H8BrClO/c1-6(10)9(12)7-2-4-8(11)5-3-7/h2-6H,1H3

Weigh it out

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

Names and synonyms

6 names

1-Propanone, 2-bromo-1-(4-chlorophenyl)-
Propiophenone, 2-bromo-4′-chloro-
α-Bromo-4′-chloropropiophenone
α-Bromo-p-chloropropiophenone
2-Bromo-4′-chloropropiophenone
2-Bromo-1-(4-chlorophenyl)propan-1-one

Work with 2-Bromo-1-(4-chlorophenyl)-1-propanone

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

2-Bromo-4-methylpropiophenone1451-82-765 % similar α-Bromopropiophenone2114-00-363 % similar (4-Chlorophenyl)cyclopropylmethanone6640-25-156 % similar 2-Bromo-1-(3-methylphenyl)-1-propanone1451-83-853 % similar 4'-Benzyloxy-2-bromopropiophenone35081-45-949 % similar 1-(Benzo(d)(1,3)dioxol-5-yl)-2-bromopropan-1-one52190-28-049 % similar 4-(4-Chlorobenzoyl)piperidine53220-41-049 % similar P-Chloroacetophenone99-91-247 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(4-Bromophenyl)-3-chloro-1-propanone31736-73-9 Alpha-Bromo-3-chloropropiophenone34911-51-8

Elsewhere

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