chempirical

4-Cyanophenol

C7H5NOCAS 767-00-0119.12 g/mol

Open in Covalent MOL file
NOH
NitrilePhenol

Properties

Molecular formula
C7H5NO
Molar mass
119.12 g/mol
Exact mass
119.0371 Da
Melting point
110–113 °C
Boiling point
148 °C (at 1 Torr)
logP
1.26Crippen estimate
Polar surface area
44.0 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 62 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
767-00-0
SMILES
N#Cc1ccc(O)cc1
InChIKey
CVNOWLNNPYYEOH-UHFFFAOYSA-N
InChI
InChI=1S/C7H5NO/c8-5-6-1-3-7(9)4-2-6/h1-4,9H

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

Names and synonyms

7 names
  • Benzonitrile, 4-hydroxy-
  • Benzonitrile, p-hydroxy-
  • 4-Hydroxybenzonitrile
  • p-Cyanophenol
  • p-Hydroxybenzonitrile
  • NSC 400524
  • 4-Hydroxycyanobenzene

Work with 4-Cyanophenol

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

4′-Cyano-4-hydroxybiphenyl19812-93-286 % similar 1,4-Dicyanobenzene623-26-767 % similar 6-Hydroxy-2-naphthonitrile52927-22-764 % similar (1,1'-Biphenyl)-4,4'-dicarbonitrile1591-30-657 % similar 3,5-Dihydroxybenzonitrile19179-36-357 % similar 4-Bromobenzonitrile623-00-757 % similar 4-Hydroxybenzene-1,2-dicarbonitrile30757-50-754 % similar Benzonitrile100-47-052 % similar

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

Same formula

Phenyl isocyanate103-71-9 Anthranil271-58-9 Benzisoxazole271-95-4 Benzoxazole273-53-0 2-Hydroxybenzonitrile611-20-1 3-Cyanophenol873-62-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook