5-Chlorothiophene-2-carbonyl chloride

C₅H₂Cl₂OSCAS 42518-98-9181.03 g/mol

Open in Covalent MOL file

Acyl halide Aryl halide

Properties

Molecular formula: C₅H₂Cl₂OS
Molar mass: 181.03 g/mol
Exact mass: 179.9203 Da
logP: 2.78Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H290 May be corrosive to metals33.3% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage66.7% of notifiers

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

Precautionary statements

P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, P501

Identifiers

CAS number

42518-98-9

SMILES

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

InChIKey

BMPDCQVRKDNUAP-UHFFFAOYSA-N

InChI

InChI=1S/C5H2Cl2OS/c6-4-2-1-3(9-4)5(7)8/h1-2H

Weigh it out

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

Work with 5-Chlorothiophene-2-carbonyl chloride

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 acid24065-33-657 % similar 2-Acetyl-5-chlorothiophene6310-09-457 % similar 5-Chlorothiophene-2-carboxylic acid hydrazide351983-31-852 % similar Methyl 5-chlorothiophene-2-carboxylate35475-03-752 % similar 2-Bromo-1-(5-chloro-thiophen-2-yl)-ethanone57731-17-652 % similar Ethyl 5-chlorothiophene-2-carboxylate5751-82-647 % similar 2,5-Dichlorothiophene173777-89-446 % similar 2,5-Dichlorothiophene3172-52-946 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Chlorothiophene-2-carbonyl chloride86427-02-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook