CAS 22856-30-0 2,3-Dicyanonaphthalene (HCID 601270)

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Basic information

CAS: 22856-30-0
Standard SMILES: N#Cc1cc2ccccc2cc1C#N
InChIKey: KNBYJRSSFXTESR-UHFFFAOYSA-N
Molecular formula: C12H6N2
Average molar mass: 178.19 g/mol
Monoisotopic mass: 178.05309819

Names & identifiers

Preferred name: 2,3-Dicyanonaphthalene
IUPAC: naphthalene-2,3-dicarbonitrile
English name: 2,3-Dicyanonaphthalene
Molecular formula: C12H6N2
Molecular weight: 178.19

Names & synonyms

22856-30-02,3-DicyanonaphthaleneDTXSID30345032RefChem:442079DTXCID80296106625-271-8naphthalene-2,3-dicarbonitrile2,3-NaphthalenedicarbonitrileMFCD000590632,3-dicyano-naphthalene2,3-naphthalenedicarbonitrilSCHEMBL149126

Show more names

,3-Dicyanonaphthalene2,3-DICYANONAHTHALENE2,3-Dicyanonaphthalene>2,3-NAPHTHALENEDICARBONITRILE2,3-Naphthalenedicarbonitrile,98%2 3-NAPHTHALENEDICARBONITRILE 98%

SCHEMBL2897644SCHEMBL3525889SCHEMBL294891282,3-Naphthalenedicarbonitrile, 97%AKOS015836403AS-38146SY052335CS-0171500

Database identifiers

CAS: 22856-30-0
PubChem CID: 601270
DTXSID: DTXSID30345032
EC Number: 625-271-8
Nikkaji: J208.456B

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 47.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 271

Physicochemical properties

Melting point: 253 · 253-257 °C
Boiling point: 300.41 °C · 300.41°C (rough estimate)
Density: 1.2218 · 1.2218 (rough estimate)
refractive index: 1.52 · 1.5200 (estimate)
storage temp.: Sealed in dry,Room Temperature
solubility: slightly sol. in Chloroform
form: powder to crystal
color: White to Light yellow
BRN: 2574929 · 2574929
Major Application: diagnostic assay manufacturinghematologyhistology
InChI: InChI=1S/C12H6N2/c13-7-11-5-9-3-1-2-4-10(9)6-12(11)8-14/h1-6H
InChIKey: KNBYJRSSFXTESR-UHFFFAOYSA-N
SMILES: C1=C2C(C=CC=C2)=CC(C#N)=C1C#N
CAS DataBase Reference: 22856 · 22856-30-0(CAS DataBase Reference)
UNSPSC Code: 12171500 · 12171500

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.