2-Naphthalenecarbonitrile

C11H7NCAS 613-46-7153.18 g/mol

Open in Covalent MOL file
N
Nitrile

Properties

Molecular formula
C11H7N
Molar mass
153.18 g/mol
Exact mass
153.0578 Da
Melting point
66 °C
Boiling point
306.5 °C
logP
2.71Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Danger
Corrosive (GHS05)Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
613-46-7
SMILES
N#Cc1ccc2ccccc2c1
InChIKey
AZKDTTQQTKDXLH-UHFFFAOYSA-N
InChI
InChI=1S/C11H7N/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H

Weigh it out

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

Names and synonyms

6 names
  • 2-Naphthonitrile
  • β-Naphthonitrile
  • 2-Cyanonaphthalene
  • β-Cyanonaphthalene
  • 2-Naphthalenenitrile
  • NSC 4169

Work with 2-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

6-Hydroxy-2-naphthonitrile52927-22-765 % similar 6-Methoxynaphthalene-2-carbonitrile67886-70-857 % similar Isophthalonitrile626-17-557 % similar 2,3-Dicyanonaphthalene22856-30-054 % similar 1,4-Dicyanobenzene623-26-752 % similar Indole-5-carbonitrile15861-24-250 % similar 1H-Indole-6-carbonitrile15861-36-650 % similar 3-Quinolinecarbonitrile34846-64-550 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Naphthalenecarbonitrile86-53-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook