1H-Indazole-7-carbonitrile supplier

Name
1H-Indazole-7-carbonitrile
EINECS
CAS No. 256228-64-5
Article Data5
CAS DataBase
Density 1.33 g/cm³
Solubility
Melting Point
Formula C₈H₅N₃
Boiling Point 370.3 °C at 760 mmHg
Molecular Weight 143.148
Flash Point 126.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Indazole-7-carbonitrile;
PSA 52.47000
LogP 1.43458

1H-Indazole-7-carbonitrile Specification

The 1H-Indazole-7-carbonitrile, with the CAS registry number 256228-64-5, is also known as 7-Cyano-1H-indazole. This chemical's molecular formula is C₈H₅N₃ and molecular weight is 143.148. What's more, its systematic name is 1H-Indazole-7-carbonitrile.

Physical properties about 1H-Indazole-7-carbonitrile are: (1)ACD/LogP: 1.26; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.26; (4)ACD/LogD (pH 7.4): 1.26; (5)ACD/BCF (pH 5.5): 5.31; (6)ACD/BCF (pH 7.4): 5.31; (7)ACD/KOC (pH 5.5): 114.98; (8)ACD/KOC (pH 7.4): 114.94; (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: 1.684; (14)Molar Refractivity: 40.6 cm³; (15)Molar Volume: 106.8 cm³; (16)Polarizability: 16.09×10^-24cm³; (17)Surface Tension: 75.3 dyne/cm; (18)Density: 1.33 g/cm³; (19)Flash Point: 126.7 °C; (20)Enthalpy of Vaporization: 61.72 kJ/mol; (21)Boiling Point: 370.3 °C at 760 mmHg; (22)Vapour Pressure: 1.12E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1cc2cn[nH]c2c(c1)C#N
(2) InChI: InChI=1/C8H5N3/c9-4-6-2-1-3-7-5-10-11-8(6)7/h1-3,5H,(H,10,11)
(3) InChIKey: QXSXSDGUHOPEDJ-UHFFFAOYAG

Product Name

1H-Indazole-7-carbonitrile

1H-Indazole-7-carbonitrile Specification

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