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Basic Information
CAS No.: 74626-47-4
Name: 1H-Indazole-5-carbonitrile
Article Data: 20
Molecular Structure:
Molecular Structure of 74626-47-4 (1H-Indazole-5-carbonitrile)
Formula: C8H5N3
Molecular Weight: 143.148
Synonyms: 1H-INDAZOLE-5-CARBONITRILE;1H-Indazole-5-carbonitrile(9CI);5-Cyano-1H-indazole;1H-Indazole-5-carbonitrile ,97%;5-Cyanoindazole;Indazole-5-carbonitrile
Density: 1.34 g/cm3
Boiling Point: 370.312 °C at 760 mmHg
Flash Point: 126.669 °C
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 52.47000
LogP: 1.43458
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Chemistry


IUPAC name: 1H-indazole-5-carbonitrile
Molecular Formula: C8H5N3
Molecular Weight: 143.15 g/mol
Canonical SMILES: C1=CC2=C(C=C1C#N)C=NN2
InChI: InChI=1S/C8H5N3/c9-4-6-1-2-8-7(3-6)5-10-11-8/h1-3,5H,(H,10,11)
Mol File: 74626-47-4.mol
Product Categories: Nitrile;pharmacetical;Building Blocks;Indazole
XLogP3: 1.9
H-Bond Donor: 1
H-Bond Acceptor: 2
Rotatable Bond Count: 0
Tautomer Count: 2
Exact Mass: 143.048347
MonoIsotopic Mass: 143.048347
Topological Polar Surface Area: 52.5
Heavy Atom Count: 11
Complexity: 193
Index of Refraction: 1.685
Molar Refractivity: 40.601 cm3
Molar Volume: 106.854 cm3
Polarizability: 16.095×10-24cm3
Surface Tension: 75.365 dyne/cm
Density: 1.34 g/cm3
Flash Point: 126.669 °C
Enthalpy of Vaporization: 61.719 kJ/mol
Boiling Point: 370.312 °C at 760 mmHg
Vapour Pressure of 1H-Indazole-5-carbonitrile (CAS NO.74626-47-4): 0 mmHg at 25 °C

Specification

 1H-Indazole-5-carbonitrile (CAS NO.74626-47-4), its Synonyms are 1H-Indazole-5-carbonitrile(9CI) ; 5-Cyano-1H-indazole ; 1H-Indazole-5-carbonitrile ,97% ; 5-Cyanoindazole . Its  raw materials are Hydrochloric acid ; Acetic acid glacial ; Sodium nitrite ; Palladium ; Potassium cyanide ; Copper(I) cyanide ; 2-Methyl-4-nitroaniline .