(4-Methoxyphenyl)acetonitrile

C9H9NOCAS 104-47-2147.18 g/mol

Open in Covalent MOL file
ON
EtherNitrile

Properties

Molecular formula
C9H9NO
Molar mass
147.18 g/mol
Exact mass
147.0684 Da
Boiling point
286.5 °C
logP
1.76Crippen estimate
Polar surface area
33.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Danger
Acute Toxic (GHS06)

Aggregated from 51 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P273, P301+P316, P321, P330, P405, P501

Identifiers

CAS number
104-47-2
SMILES
COc1ccc(CC#N)cc1
InChIKey
PACGLQCRGWFBJH-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6H2,1H3

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

Names and synonyms

14 names · show all
  • Benzeneacetonitrile, 4-methoxy-
  • Acetonitrile, (p-methoxyphenyl)-
  • 4-Methoxybenzeneacetonitrile
  • p-Methoxybenzyl cyanide
  • (p-Methoxyphenyl)acetonitrile
  • p-Methoxybenzeneacetonitrile
  • p-Anisylacetonitrile
  • 4-Methoxybenzyl cyanide
  • NSC 96
  • p-Methoxybenzylnitrile
  • 2-(4-Methoxyphenyl)acetonitrile
  • PAI 106
  • 1-(Cyanomethyl)-4-methoxybenzene
  • p-Methoxyphenylacetonitrile

Reactions

Work with (4-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

4-Methoxybenzenepropanenitrile22442-48-469 % similar 3,5-Dimethoxyphenylacetonitrile13388-75-566 % similar (3-Methoxyphenyl)acetonitrile19924-43-763 % similar 1,4-Benzenediacetonitrile622-75-363 % similar 2-(4-Ethoxyphenyl)acetonitrile6775-77-561 % similar 4-Methoxyphenoxyacetonitrile22446-12-460 % similar 4-Phenoxyphenylacetonitrile92163-15-060 % similar 3,4-Dimethoxybenzeneacetonitrile93-17-459 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Methoxyindole1006-94-6 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 1-Furfurylpyrrole1438-94-4

Elsewhere

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