9-Cyanoanthracene

C₁₅H₉NCAS 1210-12-4203.24 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₅H₉N
Molar mass: 203.24 g/mol
Exact mass: 203.0735 Da
Melting point: 175 °C
logP: 3.86Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed95.6% of notifiers
H312 Harmful in contact with skin95.6% of notifiers
H315 Causes skin irritation11.1% of notifiers
H319 Causes serious eye irritation11.1% of notifiers
H332 Harmful if inhaled95.6% 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, P321, P330, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number

1210-12-4

SMILES

N#Cc1c2ccccc2cc2ccccc12

InChIKey

KEQZHLAEKAVZLY-UHFFFAOYSA-N

InChI

InChI=1S/C15H9N/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9H

Weigh it out

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

Names and synonyms

4 names

9-Anthracenecarbonitrile
9-Anthronitrile
9-Anthracenenitrile
NSC 26997

Work with 9-Cyanoanthracene

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

9,10-Dicyanoanthracene1217-45-467 % similar 9,9′-Bianthryl1055-23-852 % similar 1-Naphthalenecarbonitrile86-53-348 % similar 2,3-Dicyanonaphthalene22856-30-048 % similar 2,6-Dichlorobenzonitrile1194-65-646 % similar 9-Bromoanthracene1564-64-346 % similar Benz[a]anthracene56-55-346 % similar 9-Chloroanthracene716-53-046 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

9-Phenanthrenecarbonitrile2510-55-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook