2-Fluoro-4-methoxybenzonitrile

C₈H₆FNOCAS 94610-82-9151.14 g/mol

Open in Covalent MOL file

Aryl halide Ether Nitrile

Properties

Molecular formula: C₈H₆FNO
Molar mass: 151.14 g/mol
Exact mass: 151.0433 Da
logP: 1.71Crippen estimate
Polar surface area: 33.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed18.2% of notifiers
H302 Harmful if swallowed81.8% of notifiers
H311 Toxic in contact with skin18.2% of notifiers
H312 Harmful in contact with skin54.5% of notifiers
H315 Causes skin irritation81.8% of notifiers
H319 Causes serious eye irritation81.8% of notifiers
H331 Toxic if inhaled18.2% of notifiers
H332 Harmful if inhaled63.6% of notifiers
H335 May cause respiratory irritation81.8% of notifiers

Aggregated from 11 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

94610-82-9

SMILES

COc1ccc(C#N)c(F)c1

InChIKey

HWKUZTFIZATJPM-UHFFFAOYSA-N

InChI

InChI=1S/C8H6FNO/c1-11-7-3-2-6(5-10)8(9)4-7/h2-4H,1H3

Weigh it out

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

Names and synonyms

1 names

Benzonitrile, 2-fluoro-4-methoxy-

Work with 2-Fluoro-4-methoxybenzonitrile

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-Dimethoxybenzonitrile4107-65-764 % similar 2,6-Difluoro-4-methoxybenzonitrile123843-66-361 % similar 2,5-Dimethoxybenzonitrile5312-97-059 % similar 1,2-Difluoro-4-methoxybenzene115144-40-658 % similar 2-Amino-5-methoxybenzonitrile23842-82-257 % similar 2-Fluoro-4-methylbenzonitrile85070-67-356 % similar 2-Bromo-5-methoxybenzonitrile138642-47-456 % similar 2-Fluoro-1,4-benzenedicarbonitrile1897-53-655 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Fluoro-4-methylphenyl isocyanate102561-42-2 2-Fluoro-5-methoxybenzonitrile127667-01-0 1-Fluoro-4-(isocyanatomethyl)benzene132740-43-3 5-Fluoro-2-methoxybenzonitrile189628-38-4 2-Fluoro-5-methylphenyl isocyanate190774-50-6 4-Fluoro-2-methoxybenzonitrile191014-55-8 4-Cyano-2-fluorobenzyl alcohol219873-06-0 4-Fluoro-3-methoxybenzonitrile243128-37-2

Elsewhere

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