2,6-Difluoro-4-hydroxybenzonitrile

C₇H₃F₂NOCAS 123843-57-2155.10 g/mol

Open in Covalent MOL file

Aryl halide Nitrile Phenol

Properties

Molecular formula: C₇H₃F₂NO
Molar mass: 155.10 g/mol
Exact mass: 155.0183 Da
logP: 1.54Crippen estimate
Polar surface area: 44.0 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed40% of notifiers
H302 Harmful if swallowed60% of notifiers
H311 Toxic in contact with skin40% of notifiers
H312 Harmful in contact with skin60% of notifiers
H315 Causes skin irritation80% of notifiers
H319 Causes serious eye irritation80% of notifiers
H331 Toxic if inhaled40% of notifiers
H332 Harmful if inhaled60% of notifiers
H335 May cause respiratory irritation60% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

123843-57-2

SMILES

N#Cc1c(F)cc(O)cc1F

InChIKey

KEIYYIGMDPTAPL-UHFFFAOYSA-N

InChI

InChI=1S/C7H3F2NO/c8-6-1-4(11)2-7(9)5(6)3-10/h1-2,11H

Weigh it out

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

Names and synonyms

3 names

Benzonitrile, 2,6-difluoro-4-hydroxy-
3,5-Difluoro-4-cyanophenol
4-Cyano-3,5-difluorophenol

Work with 2,6-Difluoro-4-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,4,6-Trifluorobenzonitrile96606-37-062 % similar 2-Fluoro-4-hydroxybenzonitrile82380-18-559 % similar 4-Bromo-2,6-difluorobenzonitrile123843-67-457 % similar 2,6-Difluorobenzonitrile1897-52-552 % similar 2,3,5,6-Tetrafluorobenzonitrile5216-17-152 % similar 4-Hydroxy-2,6-dimethylbenzonitrile58537-99-852 % similar 2,6-Difluoro-4-methoxybenzonitrile123843-66-352 % similar 3,4,5-Trifluorophenol99627-05-150 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,3-Difluoro-4-hydroxybenzonitrile126162-38-7 3,5-Difluoro-4-hydroxy-benzonitrile2967-54-6 1,4-Difluoro-2-isocyanatobenzene39718-32-6 3,4-Difluorophenyl isocyanate42601-04-7 2,4-Difluorophenyl isocyanate59025-55-7 2,6-Difluorophenyl isocyanate65295-69-4

Elsewhere

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