chempirical

3-Cyanobenzaldehyde

C8H5NOCAS 24964-64-5131.13 g/mol

Open in Covalent MOL file
NO
AldehydeNitrile

Properties

Molecular formula
C8H5NO
Molar mass
131.13 g/mol
Exact mass
131.0371 Da
Melting point
76.5 °C
Boiling point
210 °C
logP
1.37Crippen estimate
Polar surface area
40.9 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
24964-64-5
SMILES
N#Cc1cccc(C=O)c1
InChIKey
HGZJJKZPPMFIBU-UHFFFAOYSA-N
InChI
InChI=1S/C8H5NO/c9-5-7-2-1-3-8(4-7)6-10/h1-4,6H

Weigh it out

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

Names and synonyms

5 names
  • Benzonitrile, 3-formyl-
  • Isophthalaldehydonitrile
  • Benzaldehyde, m-cyano-
  • 3-Formylbenzonitrile
  • m-Cyanobenzaldehyde

Work with 3-Cyanobenzaldehyde

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Isophthalonitrile626-17-558 % similar Isophthalaldehyde626-19-758 % similar 3-Fluoro-5-formylbenzonitrile1003708-42-653 % similar 3-Hydroxybenzaldehyde100-83-452 % similar [1,1′-Biphenyl]-3-carboxaldehyde1204-60-052 % similar 4-Formyl-2-pyridinecarbonitrile131747-70-149 % similar 3-Fluorobenzonitrile403-54-348 % similar 3-Fluorobenzaldehyde456-48-448 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Cyanobenzaldehyde105-07-7 Benzoyl cyanide613-90-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook