2-Hydroxybenzonitrile

C₇H₅NOCAS 611-20-1119.12 g/mol

Open in Covalent MOL file

Nitrile Phenol

Properties

Molecular formula: C₇H₅NO
Molar mass: 119.12 g/mol
Exact mass: 119.0371 Da
Density: 1.1052 g/mL (at 20 °C)
Melting point: 98 °C
Boiling point: 149 °C
logP: 1.26Crippen estimate
Polar surface area: 44.0 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed99.2% of notifiers
H315 Causes skin irritation38.3% of notifiers
H317 May cause an allergic skin reaction61.7% of notifiers
H318 Causes serious eye damage60% of notifiers
H319 Causes serious eye irritation38.3% of notifiers
H335 May cause respiratory irritation37.5% of notifiers

Aggregated from 120 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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

611-20-1

SMILES

N#Cc1ccccc1O

InChIKey

CHZCERSEMVWNHL-UHFFFAOYSA-N

InChI

InChI=1S/C7H5NO/c8-5-6-3-1-2-4-7(6)9/h1-4,9H

Weigh it out

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

Names and synonyms

7 names

Benzonitrile, 2-hydroxy-
Salicylonitrile
o-Hydroxybenzonitrile
o-Cyanophenol
2-Cyanophenol
Salicylnitrile
NSC 53558

Work with 2-Hydroxybenzonitrile

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

Phthalonitrile91-15-660 % similar 5-Chloro-2-hydroxybenzonitrile13589-72-552 % similar 4-Bromo-2-hydroxybenzonitrile288067-35-652 % similar 5-Bromo-2-hydroxybenzonitrile40530-18-552 % similar Catechol120-80-950 % similar 3,6-Dihydroxy-1,2-benzenedicarbonitrile4733-50-050 % similar 2,3-Difluoro-4-hydroxybenzonitrile126162-38-748 % similar 3-Cyano-2-pyridone20577-27-948 % 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 4-Cyanophenol767-00-0 3-Cyanophenol873-62-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook