2-Bromo-1-(5-chloro-thiophen-2-yl)-ethanone

C₆H₄BrClOSCAS 57731-17-6239.51 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ketone

Properties

Molecular formula: C₆H₄BrClOS
Molar mass: 239.51 g/mol
Exact mass: 237.8855 Da
logP: 2.98Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Danger

H300 Fatal if swallowed25% of notifiers
H302 Harmful if swallowed25% of notifiers
H314 Causes severe skin burns and eye damage50% of notifiers
H315 Causes skin irritation25% of notifiers
H318 Causes serious eye damage25% of notifiers
H319 Causes serious eye irritation25% of notifiers
H335 May cause respiratory irritation25% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

57731-17-6

SMILES

C1=C(SC(=C1)Cl)C(=O)CBr

InChIKey

YIKFQMAUWNYCHK-UHFFFAOYSA-N

InChI

InChI=1S/C6H4BrClOS/c7-3-4(9)5-1-2-6(8)10-5/h1-2H,3H2

Weigh it out

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

Names and synonyms

1 names

2-(Bromoacetyl)-5-chlorothiophene

Work with 2-Bromo-1-(5-chloro-thiophen-2-yl)-ethanone

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

5-Chloro-2-thiophenecarboxylic acid24065-33-655 % similar 5-Chlorothiophene-2-carbonyl chloride42518-98-952 % similar 2-Acetyl-5-chlorothiophene6310-09-450 % similar 2-Bromo-1-(thiophen-2-yl)ethan-1-one10531-41-649 % similar Ethyl 5-chlorothiophene-2-carboxylate5751-82-646 % similar 5-Chlorothiophene-2-carboxylic acid hydrazide351983-31-846 % similar Methyl 5-chlorothiophene-2-carboxylate35475-03-746 % similar 2′-Bromo-4-chloroacetophenone536-38-946 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-3-methylthiophene-2-carbonyl chloride265652-36-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook