(3-Methoxyphenyl)acetonitrile

C₉H₉NOCAS 19924-43-7147.18 g/mol

Open in Covalent MOL file

Ether Nitrile

Properties

Molecular formula: C₉H₉NO
Molar mass: 147.18 g/mol
Exact mass: 147.0684 Da
Boiling point: 152 °C
logP: 1.76Crippen estimate
Polar surface area: 33.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Danger

H301 Toxic if swallowed28.6% of notifiers
H311 Toxic in contact with skin16.1% of notifiers
H315 Causes skin irritation75% of notifiers
H319 Causes serious eye irritation75% of notifiers
H330 Fatal if inhaled16.1% of notifiers
H335 May cause respiratory irritation73.2% of notifiers

Aggregated from 56 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

19924-43-7

SMILES

COc1cccc(CC#N)c1

InChIKey

LXKNAUOWEJWGTE-UHFFFAOYSA-N

InChI

InChI=1S/C9H9NO/c1-11-9-4-2-3-8(7-9)5-6-10/h2-4,7H,5H2,1H3

Weigh it out

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

Names and synonyms

9 names

Benzeneacetonitrile, 3-methoxy-
Acetonitrile, (m-methoxyphenyl)-
3-Methoxybenzeneacetonitrile
(m-Methoxyphenyl)acetonitrile
m-Methoxybenzyl cyanide
3-Methoxybenzyl cyanide
2-(3-Methoxyphenyl)acetonitrile
NSC 143401
Limnanthin nitrile

Work with (3-Methoxyphenyl)acetonitrile

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

3,5-Dimethoxyphenylacetonitrile13388-75-568 % similar (3-Phenoxyphenyl)acetonitrile51632-29-267 % similar 3-(Difluoromethoxy)phenylacetonitrile41429-18-964 % similar 3-Benzyloxyphenylacetonitrile20967-96-863 % similar 1,3-Benzenediacetonitrile626-22-262 % similar 2-(3-(Trifluoromethoxy)phenyl)acetonitrile108307-56-859 % similar 3,4-Dimethoxybenzeneacetonitrile93-17-457 % similar (3-Methylphenyl)acetonitrile2947-60-656 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Methoxyindole1006-94-6 (4-Methoxyphenyl)acetonitrile104-47-2 Indole-4-methanol1074-85-7 1H-Indole-7-methanol1074-87-9 Indole-5-methanol1075-25-8 6-Hydroxymethylindole1075-26-9 3,4-Dihydroisoquinolin-1(2H)-one1196-38-9 2-Methyl-1H-indol-5-ol13314-85-7

Elsewhere

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