5-(4-Chlorophenyl)-2-thiophenecarboxaldehyde

C11H7ClOSCAS 38401-71-7222.69 g/mol

Open in Covalent MOL file
OClS
AldehydeAryl halide

Properties

Molecular formula
C11H7ClOS
Molar mass
222.69 g/mol
Exact mass
221.9906 Da
Melting point
88–89 °C
logP
3.88Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
38401-71-7
SMILES
O=Cc1ccc(-c2ccc(Cl)cc2)s1
InChIKey
JFAKPLYPDADDKE-UHFFFAOYSA-N
InChI
InChI=1S/C11H7ClOS/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-7H

Weigh it out

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

Names and synonyms

2 names
  • 2-Thiophenecarboxaldehyde, 5-(4-chlorophenyl)-
  • 5-(p-Chlorophenyl)-2-thiophenecarboxaldehyde

Work with 5-(4-Chlorophenyl)-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

5-Phenyl-2-thiophenecarbaldehyde19163-21-465 % similar 5-(4-Methoxyphenyl)thiophene-2-carbaldehyde38401-67-158 % similar 5-Chloro-2-thiophenecarboxaldehyde7283-96-750 % similar Thiophene-2,5-dicarbaldehyde932-95-650 % similar 5'-Bromo(2,2'-bithiophene)-5-carbaldehyde110046-60-149 % similar 5-(Pyridin-2-yl)thiophene-2-carbaldehyde132706-12-847 % similar [2,2'-Bithiophene]-5-carboxaldehyde3779-27-947 % similar 2,2':5',2''-Terthiophene-5-carboxaldehyde7342-41-846 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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