4-Hydroxybenzene-1,2-dicarbonitrile

C₈H₄N₂OCAS 30757-50-7144.13 g/mol

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Properties

Molecular formula: C₈H₄N₂O
Molar mass: 144.13 g/mol
Exact mass: 144.0324 Da
logP: 1.14Crippen estimate
Polar surface area: 67.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

30757-50-7

SMILES

C1=CC(=C(C=C1O)C#N)C#N

InChIKey

FTVOPKROFUTOKY-UHFFFAOYSA-N

InChI

InChI=1S/C8H4N2O/c9-4-6-1-2-8(11)3-7(6)5-10/h1-3,11H

Weigh it out

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Names and synonyms

1 names

4-Hydroxyphthalonitrile

Work with 4-Hydroxybenzene-1,2-dicarbonitrile

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

2-Chloro-4-hydroxybenzonitrile3336-16-165 % similar 2-Fluoro-4-hydroxybenzonitrile82380-18-565 % similar 4-Bromophthalonitrile70484-01-460 % similar 4-Hydroxy-2-(trifluoromethyl)benzonitrile320-42-359 % similar 1,2,4,5-Benzenetetracarbonitrile712-74-355 % similar 4-Cyanophenol767-00-054 % similar 4-Amino-1,2-benzenedicarbonitrile56765-79-854 % similar 4-Methylphthalonitrile63089-50-954 % similar

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

Same formula

3-Isocyanatobenzonitrile16413-26-6 4-Cyanophenyl isocyanate40465-45-0 2-Isocyanatobenzonitrile42066-86-4

Elsewhere

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