chempirical

3-Cyanophenol

C7H5NOCAS 873-62-1119.12 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
79–81 °C
Boiling point
179–180 °C (at 13 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 49 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
873-62-1
SMILES
N#Cc1cccc(O)c1
InChIKey
SGHBRHKBCLLVCI-UHFFFAOYSA-N
InChI
InChI=1S/C7H5NO/c8-5-6-2-1-3-7(9)4-6/h1-4,9H

Weigh it out

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

Names and synonyms

6 names
  • Benzonitrile, 3-hydroxy-
  • Benzonitrile, m-hydroxy-
  • 3-Hydroxybenzonitrile
  • m-Cyanophenol
  • m-Hydroxybenzonitrile
  • NSC 60108

Work with 3-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

Isophthalonitrile626-17-568 % similar 3,5-Dihydroxybenzonitrile19179-36-363 % similar 3-Hydroxyphenylacetylene10401-11-359 % similar 6-Hydroxy-2-naphthonitrile52927-22-757 % similar 3-Fluorobenzonitrile403-54-356 % similar 3-Chlorobenzonitrile766-84-756 % similar 3-Chloro-5-hydroxybenzonitrile473923-97-655 % similar 3-(Hydroxymethyl)benzonitrile874-97-555 % 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 4-Cyanophenol767-00-0

Elsewhere

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