4′-Cyano-4-hydroxybiphenyl

C₁₃H₉NOCAS 19812-93-2195.22 g/mol

Open in Covalent MOL file

Nitrile Phenol

Properties

Molecular formula: C₁₃H₉NO
Molar mass: 195.22 g/mol
Exact mass: 195.0684 Da
Melting point: 193–194 °C (sublimes)
logP: 2.93Crippen estimate
Polar surface area: 44.0 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed95.7% of notifiers
H312 Harmful in contact with skin95.7% of notifiers
H315 Causes skin irritation95.7% of notifiers
H319 Causes serious eye irritation95.7% of notifiers
H332 Harmful if inhaled95.7% of notifiers
H335 May cause respiratory irritation93.5% of notifiers

Aggregated from 46 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

19812-93-2

SMILES

N#Cc1ccc(-c2ccc(O)cc2)cc1

InChIKey

ZRMIETZFPZGBEB-UHFFFAOYSA-N

InChI

InChI=1S/C13H9NO/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h1-8,15H

Weigh it out

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

Names and synonyms

17 names · show all

[1,1′-Biphenyl]-4-carbonitrile, 4′-hydroxy-
4-Biphenylcarbonitrile, 4′-hydroxy-
4′-Hydroxy[1,1′-biphenyl]-4-carbonitrile
4′-Hydroxy-4-biphenylcarbonitrile
4-Cyano-4′-hydroxybiphenyl
4-Hydroxy-4′-cyanobiphenyl
4-(4-Hydroxyphenyl)benzonitrile
4-(4-Cyanophenyl)phenol
4-(4′-Cyanophenyl)phenol
4′-Hydroxy-4-biphenylylcarbonitrile
4′-Hydroxy-4-cyanobiphenyl
4′-Cyanobiphenyl-4-ol
4′-Hydroxybiphenyl-4-nitrile
4′-Hydroxy-4-cyano-1,1′-biphenyl
4′-Cyano-4-biphenol
4-Hydro-4′-cyanobiphenyl
4'-Hydroxy-4-biphenylcarbonitrile

Work with 4′-Cyano-4-hydroxybiphenyl

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-Cyanophenol767-00-086 % similar (1,1'-Biphenyl)-4,4'-dicarbonitrile1591-30-671 % similar (1,1'-Biphenyl)-4-carbonitrile2920-38-963 % similar 6-Hydroxy-2-naphthonitrile52927-22-757 % similar 1,4-Dicyanobenzene623-26-757 % similar 4,4′-Dihydroxybiphenyl92-88-657 % similar 4-Amino-4'-cyanobiphenyl4854-84-656 % similar 4′-Methyl[1,1′-biphenyl]-4-carbonitrile50670-50-356 % similar

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

Same formula

6(5H)-Phenanthridinone1015-89-0 2-Biphenyl isocyanate17337-13-2 Fluorenone oxime2157-52-0 2-Amino-9H-fluoren-9-one3096-57-9 4-Phenoxybenzonitrile3096-81-9 10-Hydroxybenzo(h)quinoline33155-90-7 Acridone578-95-0 2-Phenylbenzoxazole833-50-1

Elsewhere

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