2-Fluoro-6-methoxybenzonitrile

C₈H₆FNOCAS 94088-46-7151.14 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
Melting point: 93–95 °C
logP: 1.71Crippen estimate
Polar surface area: 33.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed14.6% of notifiers
H312 Harmful in contact with skin14.6% of notifiers
H315 Causes skin irritation97.9% of notifiers
H319 Causes serious eye irritation97.9% of notifiers
H332 Harmful if inhaled14.6% of notifiers
H335 May cause respiratory irritation93.8% of notifiers

Aggregated from 48 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

94088-46-7

SMILES

COc1cccc(F)c1C#N

InChIKey

YPMSIWYNTPSPMV-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

3 names

Benzonitrile, 2-fluoro-6-methoxy-
2-Methoxy-6-fluorobenzonitrile
6-Methoxy-2-fluorobenzonitrile

Work with 2-Fluoro-6-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

2,6-Dimethoxybenzonitrile16932-49-372 % similar 2-Fluoro-6-phenoxybenzonitrile175204-06-563 % similar 2,6-Difluorobenzonitrile1897-52-562 % similar 2-Fluoroanisole321-28-860 % similar 2-Fluoro-6-(4-methylphenoxy)benzonitrile175204-08-759 % similar 2-Fluoro-6-(4-fluorophenoxy)benzonitrile175204-07-658 % similar 2-Fluoro-6-(2,2,2-trifluoroethoxy)benzonitrile119584-74-656 % similar 2-Fluoro-6-methylbenzonitrile198633-76-056 % 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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