1H-Indazole-3-carbonitrile supplier

Name
1H-Indazole-3-carbonitrile
EINECS
CAS No. 50264-88-5
Article Data12
CAS DataBase
Density 1.34 g/cm³
Solubility
Melting Point
Formula C₈H₅N₃
Boiling Point 370.312 °C at 760 mmHg
Molecular Weight 143.148
Flash Point 126.669 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Cyano-1H-indazole;
PSA 52.47000
LogP 1.43458

1H-Indazole-3-carbonitrile Specification

The 1H-Indazole-3-carbonitrile, with the CAS registry number of 50264-88-5, is also known as 3-Cyano-1H-indazole. It belongs to the product category of pharmacetical. This chemical's molecular formula is C₈H₅N₃ and molecular weight is 143.15. What's more, both its systematic name and IUPAC name are the same which is called 1H-Indazole-3-carbonitrile.

Physical properties about the 1H-Indazole-3-carbonitrile are: (1)ACD/LogP: 1.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.533; (4)ACD/LogD (pH 7.4): 1.533; (5)ACD/BCF (pH 5.5): 8.612; (6)ACD/BCF (pH 7.4): 8.61; (7)ACD/KOC (pH 5.5): 162.55; (8)ACD/KOC (pH 7.4): 162.496; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 52.47 Å²; (13)Index of Refraction: 1.685; (14)Molar Refractivity: 40.601 cm³; (15)Molar Volume: 106.854 cm³; (16)Surface Tension: 75.365 dyne/cm; (17)Density: 1.34 g/cm³; (18)Flash Point: 126.669 °C; (19)Enthalpy of Vaporization: 61.719 kJ/mol; (20)Boiling Point: 370.312 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES:c1ccc2c(c1)c(n[nH]2)C#N
(2) InChI:InChI=1/C8H5N3/c9-5-8-6-3-1-2-4-7(6)10-11-8/h1-4H,(H,10,11)
(3) InChIKey:REHRQXVEAXFIML-UHFFFAOYAB

Product Name

1H-Indazole-3-carbonitrile

1H-Indazole-3-carbonitrile Specification

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