2-Naphthaleneacetonitrile
Properties
- Molecular formula
- C12H9N
- Molar mass
- 167.21 g/mol
- Exact mass
- 167.0735 Da
- Melting point
- 83 °C
- Boiling point
- 303 °C
- logP
- 2.91Crippen estimate
- Polar surface area
- 23.8 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed97.9% of notifiers
- H312 Harmful in contact with skin89.6% of notifiers
- H332 Harmful if inhaled97.9% of notifiers
Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501
Identifiers
CAS number
7498-57-9SMILES
N#CCc1ccc2ccccc2c1InChIKey
LPCWDVLDJVZIHA-UHFFFAOYSA-NInChI
InChI=1S/C12H9N/c13-8-7-10-5-6-11-3-1-2-4-12(11)9-10/h1-6,9H,7H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- 2-(Cyanomethyl)naphthalene
- 2-Naphthylacetonitrile
- (β-Naphthyl)acetonitrile
- NSC 407556
- Naphthalen-2-ylacetonitrile
- 2-Naphthalen-2-ylacetonitrile
- 2-(Naphthalen-2-yl)acetonitrile
Work with 2-Naphthaleneacetonitrile
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
1,3-Benzenediacetonitrile626-22-262 % similar
1,4-Benzenediacetonitrile622-75-358 % similar
Benzyl cyanide140-29-454 % similar
4-Benzylphenylacetonitrile101096-72-452 % similar
2-Naphthalenemethanol1592-38-752 % similar
2-(Chloromethyl)naphthalene2506-41-452 % similar
4-Biphenylacetonitrile31603-77-752 % similar
2-(Bromomethyl)naphthalene939-26-452 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds