2-Acetyl-5-chlorothiophene

C₆H₅ClOSCAS 6310-09-4160.61 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₆H₅ClOS
Molar mass: 160.61 g/mol
Exact mass: 159.9750 Da
Melting point: 52 °C
Boiling point: 95–96 °C (at 7 Torr)
logP: 2.60Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H300 Fatal if swallowed33.3% of notifiers
H301 Toxic if swallowed44.4% of notifiers
H302 Harmful if swallowed22.2% of notifiers
H312 Harmful in contact with skin66.7% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H332 Harmful if inhaled66.7% of notifiers

Aggregated from 9 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P337+P317, P362+P364, P405, P501

Identifiers

CAS number

6310-09-4

SMILES

CC(=O)c1ccc(Cl)s1

InChIKey

HTZGPEHWQCRXGZ-UHFFFAOYSA-N

InChI

InChI=1S/C6H5ClOS/c1-4(8)5-2-3-6(7)9-5/h2-3H,1H3

Weigh it out

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

Names and synonyms

9 names

Ethanone, 1-(5-chloro-2-thienyl)-
Ketone, 5-chloro-2-thienyl methyl
1-(5-Chloro-2-thienyl)ethanone
5-Chloro-2-acetylthiophene
2-Chloro-5-acetylthiophene
NSC 43020
1-(5-Chlorothiophen-2-yl)ethanone
1-(5-Chlorothiophen-2-yl)ethan-1-one
1-(5-Chlorothien-2-yl)-1-ethanone

Work with 2-Acetyl-5-chlorothiophene

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-Acetyl-5-methylthiophene13679-74-857 % similar 5-Chlorothiophene-2-carbonyl chloride42518-98-957 % similar 5-Chloro-2-thiophenecarboxylic acid24065-33-655 % similar 2-Acetyl-5-iodothiophene30955-94-355 % similar 2-Acetyl-5-bromothiophene5370-25-255 % similar Methyl 5-chlorothiophene-2-carboxylate35475-03-755 % similar 5-Acetyl-2-thiophenecarboxylic acid4066-41-553 % similar 5-Acetyl-2-thiopheneboronic acid206551-43-150 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Acetyl-4-chlorothiophene34730-20-6 2-Thiopheneacetyl chloride39098-97-0 3-Methylthiophene-2-carbonyl chloride61341-26-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook