1-Naphthalenecarbonitrile
Properties
- Molecular formula
- C11H7N
- Molar mass
- 153.18 g/mol
- Exact mass
- 153.0578 Da
- Melting point
- 37.5 °C
- Boiling point
- 299 °C
- logP
- 2.71Crippen estimate
- Polar surface area
- 23.8 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H302 Harmful if swallowed95.6% of notifiers
- H311 Toxic in contact with skin13.3% of notifiers
- H312 Harmful in contact with skin86.7% of notifiers
- H315 Causes skin irritation91.1% of notifiers
- H319 Causes serious eye irritation91.1% of notifiers
- H332 Harmful if inhaled95.6% of notifiers
- H335 May cause respiratory irritation86.7% of notifiers
Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
86-53-3SMILES
N#Cc1cccc2ccccc12InChIKey
YJMNOKOLADGBKA-UHFFFAOYSA-NInChI
InChI=1S/C11H7N/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
9 names
- 1-Naphthonitrile
- α-Naphthonitrile
- α-Naphthyl cyanide
- 1-Cyanonaphthalene
- 1-Naphthylnitrile
- α-Cyanonaphthalene
- 1-Naphthalenenitrile
- 1-Naphthyl cyanide
- NSC 60230
Reactions
Work with 1-Naphthalenecarbonitrile
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
Phthalonitrile91-15-657 % similar
9-Phenanthrenecarbonitrile2510-55-656 % similar
2,3-Dicyanonaphthalene22856-30-054 % similar
4-Cyanoindole16136-52-050 % similar
2-Chlorobenzonitrile873-32-550 % similar
7-Cyanoindole96631-87-750 % similar
1-Cyano-4-fluoronaphthalene13916-99-948 % similar
9-Cyanoanthracene1210-12-448 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.