2-Methoxybenzonitrile

C₈H₇NOCAS 6609-56-9133.15 g/mol

Open in Covalent MOL file

Ether Nitrile

Properties

Molecular formula: C₈H₇NO
Molar mass: 133.15 g/mol
Exact mass: 133.0528 Da
Density: 1.107 g/mL (at 20 °C)
Melting point: 24.5 °C
Boiling point: 255.5 °C
logP: 1.57Crippen 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 irritation87.5% 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

6609-56-9

SMILES

COc1ccccc1C#N

InChIKey

FSTPMFASNVISBU-UHFFFAOYSA-N

InChI

InChI=1S/C8H7NO/c1-10-8-5-3-2-4-7(8)6-9/h2-5H,1H3

Weigh it out

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

Names and synonyms

6 names

Benzonitrile, 2-methoxy-
o-Anisonitrile
o-Methoxybenzonitrile
o-Cyanoanisole
2-Cyanoanisole
2-(Methyloxy)benzonitrile

Work with 2-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,3-Dimethoxybenzonitrile5653-62-371 % similar 2,6-Dimethoxybenzonitrile16932-49-363 % similar 1-Ethynyl-2-methoxybenzene767-91-961 % similar 2,4-Dimethoxybenzonitrile4107-65-760 % similar 2,5-Dimethoxybenzonitrile5312-97-060 % similar 4-Methoxy-1-naphthalenecarbonitrile5961-55-760 % similar 3-Methoxy-2-nitro benzonitrile142596-50-757 % similar 2,3,4-Trimethoxybenzonitrile43020-38-857 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(+)-Mandelonitrile10020-96-9 5-Methylbenzoxazole10531-78-9 4-Hydroxybenzyl cyanide14191-95-8 3-Methoxybenzonitrile1527-89-5 5-Hydroxyindole1953-54-4 7-Hydroxyindole2380-84-9 6-Hydroxyindole2380-86-1 1H-Indol-4-ol2380-94-1

Elsewhere

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