(3-Phenoxyphenyl)acetonitrile

C₁₄H₁₁NOCAS 51632-29-2209.25 g/mol

Open in Covalent MOL file

Ether Nitrile

Properties

Molecular formula: C₁₄H₁₁NO
Molar mass: 209.25 g/mol
Exact mass: 209.0841 Da
Boiling point: 161–163 °C (at 1 Torr)
logP: 3.54Crippen estimate
Polar surface area: 33.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin91.1% of notifiers
H315 Causes skin irritation91.1% of notifiers
H319 Causes serious eye irritation91.1% of notifiers
H332 Harmful if inhaled91.1% of notifiers
H335 May cause respiratory irritation91.1% of notifiers

Aggregated from 45 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

51632-29-2

SMILES

N#CCc1cccc(Oc2ccccc2)c1

InChIKey

DKGMALJGFUHPGB-UHFFFAOYSA-N

InChI

InChI=1S/C14H11NO/c15-10-9-12-5-4-8-14(11-12)16-13-6-2-1-3-7-13/h1-8,11H,9H2

Weigh it out

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

Names and synonyms

6 names

Benzeneacetonitrile, 3-phenoxy-
3-Phenoxybenzeneacetonitrile
m-Phenoxybenzyl cyanide
3-Phenoxybenzyl cyanide
m-Phenoxyphenyl-acetonitrile
2-(3-Phenoxyphenyl)acetonitrile

Work with (3-Phenoxyphenyl)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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Benzyloxyphenylacetonitrile20967-96-870 % similar (3-Methoxyphenyl)acetonitrile19924-43-767 % similar 1,3-Benzenediacetonitrile626-22-264 % similar 2-(3-(Trifluoromethoxy)phenyl)acetonitrile108307-56-861 % similar 3-(Difluoromethoxy)phenylacetonitrile41429-18-961 % similar 3-Phenoxybenzyl alcohol13826-35-258 % similar (3-Methylphenyl)acetonitrile2947-60-658 % similar 3-Phenoxybenzyl bromide51632-16-758 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

DE(5-carboxamide)oxcarbazepine21737-58-6 2-Phenoxyphenylacetonitrile25562-98-5 1,3-Dihydro-1-phenyl-2H-indol-2-one3335-98-6 4-Benzyloxybenzonitrile52805-36-4 2-Methyl-5-phenylbenzoxazole61931-68-8 N-Methylacridone719-54-0 4-Phenoxyphenylacetonitrile92163-15-0

Elsewhere

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