1H-Indazole-3-carbonitrile

HCID 437556

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Basic information

CAS: 50264-88-5
Standard SMILES: N#Cc1n[nH]c2ccccc12
InChIKey: REHRQXVEAXFIML-UHFFFAOYSA-N
Molecular formula: C8H5N3
Average molar mass: 143.15 g/mol
Monoisotopic mass: 143.04834716

Names & identifiers

Preferred name: 1H-Indazole-3-carbonitrile
IUPAC: 1H-indazole-3-carbonitrile
English name: 1H-Indazole-3-carbonitrile
Molecular formula: C8H5N3
Molecular weight: 143.15

Names & synonyms

1H-indazole-3-carbonitrile50264-88-5DTXSID40331340RefChem:79840DTXCID90282434829-947-53-Cyano-1H-indazoleMFCD018602403-CyanoindazolecyanoindazoleK4RNSC520611

Show more names

NSC 5206113-CYANO-INDAZOLELonidamine Impurity 321H-Indazole-3-carbonitrile CAS NO.50264-88-51H-Indazole-3-carbonitrile1H-Indazole-3-carbonitrile

3-cyano-2h-indazoleINDAZOLE-3-CARBONITRILESCHEMBL1290531SCHEMBL2563702SCHEMBL9388105SCHEMBL10468778SCHEMBL10468779SCHEMBL16616856

Database identifiers

CAS: 50264-88-5
PubChem CID: 437556
DTXSID: DTXSID40331340
EC Number: 829-947-5
Nikkaji: J1.376.470K

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 52.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 193

Physicochemical properties

Boiling point: 370.3 · 370.3±15.0 °C(Predicted)
Density: 1.33 · 1.33±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 10.87 · 10.87±0.40(Predicted)
form: solid
color: Yellow
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H332-H335
Precautionary statements: 261 · P261-P280-P305+P351+P338
HS Code: 2933998090 · 2933998090

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.