2-Chloropyridine-3,5-dicarbonitrile

HCID 10986579CAS 172208-08-1

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Basic information

Standard SMILES: N#Cc1cnc(Cl)c(C#N)c1
InChIKey: WBJFCLLYTVUQHD-UHFFFAOYSA-N
Molecular formula: C7H2ClN3
Average molar mass: 163.56 g/mol
Monoisotopic mass: 162.99372474

Names & identifiers

Preferred name: 2-Chloropyridine-3,5-dicarbonitrile
IUPAC: 2-chloropyridine-3,5-dicarbonitrile
English name: 2-Chloropyridine-3,5-dicarbonitrile
Molecular formula: C7H2ClN3
Molecular weight: 163.56

Names & synonyms

2-chloropyridine-3,5-dicarbonitrile172208-08-1DTXSID30450776RefChem:259554DTXCID80401596843-749-6C7H2ClN33,5-Pyridinedicarbonitrile, 2-chloro-MFCD188029402-chloro-3,5-Pyridinedicarbonitrile2-chloro-3,5-dicyanopyridineSCHEMBL7216099

Show more names

SCHEMBL30681150WBJFCLLYTVUQHD-UHFFFAOYSA-NAKOS016006678AS-50063DA-09333FC143469CS-0214993EN300-212110

Database identifiers

CAS: 172208-08-1
PubChem CID: 10986579
DTXSID: DTXSID30450776
EC Number: 843-749-6

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 60.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 233

Physicochemical properties

Boiling point: 286.6 · 286.6±35.0 °C(Predicted)
Density: 1.43 · 1.43±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: -5.87 · -5.87±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.