9,10-Dicyanoanthracene

C₁₆H₈N₂CAS 1217-45-4228.25 g/mol

Open in Covalent MOL file

Nitrile

Properties

Molecular formula: C₁₆H₈N₂
Molar mass: 228.25 g/mol
Exact mass: 228.0687 Da
Melting point: 328–330 °C
logP: 3.74Crippen estimate
Polar surface area: 47.6 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed50% of notifiers
H302 Harmful if swallowed50% of notifiers
H311 Toxic in contact with skin50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H331 Toxic if inhaled50% of notifiers

Aggregated from 2 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, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1217-45-4

SMILES

N#Cc1c2ccccc2c(C#N)c2ccccc12

InChIKey

BIOPPFDHKHWJIA-UHFFFAOYSA-N

InChI

InChI=1S/C16H8N2/c17-9-15-11-5-1-2-6-12(11)16(10-18)14-8-4-3-7-13(14)15/h1-8H

Weigh it out

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

Names and synonyms

4 names

9,10-Anthracenedicarbonitrile
DCA (sensitizer)
DCA
NSC 17556

Work with 9,10-Dicyanoanthracene

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-Cyanoanthracene1210-12-467 % similar 2,6-Dichlorobenzonitrile1194-65-650 % similar 4Czipn1416881-52-148 % similar 2,6-Difluorobenzonitrile1897-52-548 % similar 2,6-Dimethylbenzonitrile6575-13-948 % similar Phthalonitrile91-15-647 % similar 1-Naphthalenecarbonitrile86-53-346 % similar 3,6-Dihydroxy-1,2-benzenedicarbonitrile4733-50-045 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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