5-Chloro-2-thiophenecarboxaldehyde

C₅H₃ClOSCAS 7283-96-7146.59 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₅H₃ClOS
Molar mass: 146.59 g/mol
Exact mass: 145.9593 Da
Boiling point: 63–64 °C (at 0.7 Torr)
logP: 2.21Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed87.2% of notifiers
H312 Harmful in contact with skin87.2% of notifiers
H315 Causes skin irritation17% of notifiers
H319 Causes serious eye irritation17% of notifiers
H332 Harmful if inhaled87.2% of notifiers
H335 May cause respiratory irritation14.9% of notifiers

Aggregated from 47 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

7283-96-7

SMILES

O=Cc1ccc(Cl)s1

InChIKey

VWYFITBWBRVBSW-UHFFFAOYSA-N

InChI

InChI=1S/C5H3ClOS/c6-5-2-1-4(3-7)8-5/h1-3H

Weigh it out

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

Names and synonyms

5 names

2-Thiophenecarboxaldehyde, 5-chloro-
5-Chloro-2-formylthiophene
2-Chloro-5-formylthiophene
2-Chloro-5-thiophenecarboxaldehyde
5-Chlorothiophene-2-aldehyde

Work with 5-Chloro-2-thiophenecarboxaldehyde

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

Thiophene-2,5-dicarbaldehyde932-95-664 % similar 5-Methyl-2-thiophenecarboxaldehyde13679-70-450 % similar 2,5-Dichlorothiophene173777-89-450 % similar 2,5-Dichlorothiophene3172-52-950 % similar 5-(4-Chlorophenyl)-2-thiophenecarboxaldehyde38401-71-750 % similar 5-Bromo-2-thiophenecarboxaldehyde4701-17-150 % similar 5-Phenyl-2-thiophenecarbaldehyde19163-21-445 % similar 5-Formylthiophene-2-carbonitrile21512-16-345 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Thiophenecarbonyl chloride41507-35-1 2-Thiophenecarbonyl chloride5271-67-0 3-Chlorothiophene-2-carbaldehyde67482-48-8

Elsewhere

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