3,4′-Dichloropropiophenone

C₉H₈Cl₂OCAS 3946-29-0203.06 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ketone

Properties

Molecular formula: C₉H₈Cl₂O
Molar mass: 203.06 g/mol
Exact mass: 201.9952 Da
Melting point: 49–50 °C
logP: 3.15Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Hazards

Danger

H314 Causes severe skin burns and eye damage89.1% of notifiers
H318 Causes serious eye damage89.1% of notifiers
H335 May cause respiratory irritation95.7% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P403+P233, P405, P501

Identifiers

CAS number

3946-29-0

SMILES

O=C(CCCl)c1ccc(Cl)cc1

InChIKey

AYFJBHFMQODYBC-UHFFFAOYSA-N

InChI

InChI=1S/C9H8Cl2O/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4H,5-6H2

Weigh it out

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

Names and synonyms

13 names · show all

3,4'-Dichloropropiophenone
3-Chloro-1-(4-chlorophenyl)-1-propanone
1-Propanone, 3-chloro-1-(4-chlorophenyl)-
Propiophenone, 3,4′-dichloro-
2-Chloroethyl p-chlorophenyl ketone
p,β-Dichloropropiophenone
p-Chloro-β-chloropropiophenone
β,p-Dichloropropiophenone
2-Chloroethyl 4-chlorophenyl ketone
2-(4-Chlorobenzoyl)ethyl chloride
β-Chloro-p-chloropropiophenone
NSC 36074
3-Chloro-4′-chloropropiophenone

Work with 3,4′-Dichloropropiophenone

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

4-Chloro-1-(4-chlorophenyl)-1-butanone40877-09-679 % similar 3-Chloropropiophenone936-59-466 % similar 2,4′-Dichloroacetophenone937-20-266 % similar 1-(4-Bromophenyl)-3-chloro-1-propanone31736-73-965 % similar 2-Chloro-4'-fluoropropiophenone347-93-365 % similar 1-(4-Chlorophenyl)-1-butanone4981-63-965 % similar 1-(4-Chlorophenyl)-1-pentanone25017-08-761 % similar 3-(4-Chlorobenzoyl)propionic acid3984-34-761 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2',4'-Dichloropropiophenone37885-41-9 1-(3,4-Dichlorophenyl)-1-propanone6582-42-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook