4-Hydroxybenzyl cyanide

C₈H₇NOCAS 14191-95-8133.15 g/mol

Open in Covalent MOL file

Nitrile Phenol

Properties

Molecular formula: C₈H₇NO
Molar mass: 133.15 g/mol
Exact mass: 133.0528 Da
Melting point: 65–70 °C
logP: 1.46Crippen estimate
Polar surface area: 44.0 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed97.9% of notifiers
H312 Harmful in contact with skin85.1% of notifiers
H315 Causes skin irritation17% of notifiers
H319 Causes serious eye irritation17% of notifiers
H332 Harmful if inhaled87.2% of notifiers
H335 May cause respiratory irritation14.9% of notifiers

Aggregated from 47 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

14191-95-8

SMILES

N#CCc1ccc(O)cc1

InChIKey

AYKYOOPFBCOXSL-UHFFFAOYSA-N

InChI

InChI=1S/C8H7NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5H2

Weigh it out

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

Names and synonyms

11 names

Benzeneacetonitrile, 4-hydroxy-
Acetonitrile, (p-hydroxyphenyl)-
4-Hydroxybenzeneacetonitrile
p-Hydroxybenzyl cyanide
p-Hydroxyphenylacetonitrile
(4-Hydroxyphenyl)acetonitrile
α-Cyano-p-cresol
4-(Cyanomethyl)phenol
4-Hydroxybenzylnitrile
NSC 76080
2-(4-Hydroxyphenyl)acetonitrile

Work with 4-Hydroxybenzyl cyanide

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

1,4-Benzenediacetonitrile622-75-371 % similar 3-(p-Hydroxyphenyl)propiononitrile17362-17-365 % similar (4-Bromophenyl)acetonitrile16532-79-962 % similar Benzyl cyanide140-29-458 % similar 4-Benzylphenylacetonitrile101096-72-456 % similar (4-Chlorophenyl)acetonitrile140-53-456 % similar 4-Methylphenylacetonitrile2947-61-756 % similar 4-Biphenylacetonitrile31603-77-756 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(+)-Mandelonitrile10020-96-9 5-Methylbenzoxazole10531-78-9 3-Methoxybenzonitrile1527-89-5 5-Hydroxyindole1953-54-4 7-Hydroxyindole2380-84-9 6-Hydroxyindole2380-86-1 1H-Indol-4-ol2380-94-1 6,7-Dihydro-5H-1-pyridin-5-one28566-14-5

Elsewhere

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