4-Cyano-1H-indazole supplier | CasNO.861340-10-5

Name
1H-Indazole-4-carbonitrile
EINECS
CAS No. 861340-10-5
Article Data3
CAS DataBase
Density 1.33 g/cm³
Solubility
Melting Point 157-160 °C(Solv: ligroine (8032-32-4))
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 4-Indazolenitrile(2CI);
PSA 52.47000
LogP 1.43458

4-Cyano-1H-indazole Specification

The 4-Cyano-1H-indazole, with the CAS registry number 861340-10-5, has the systematic name and IUPAC name of 1H-indazole-4-carbonitrile. The molecular formula of the chemical is C₈H₅N₃. And it belongs to the product categories of Building Blocks and Indazole.

The characteristics of this chemical are as followings: (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)#H bond acceptors: 3; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 52.47 Å²; (9)Index of Refraction: 1.684; (10)Molar Refractivity: 40.6 cm³; (11)Molar Volume: 106.8 cm³; (12)Polarizability: 16.09×10^-24cm³; (13)Surface Tension: 75.3 dyne/cm; (14)Density: 1.33 g/cm³; (15)Flash Point: 126.7 °C; (16)Enthalpy of Vaporization: 61.72 kJ/mol; (17)Boiling Point: 370.3 °C at 760 mmHg; (18)Vapour Pressure: 1.12E-05 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1cc(c2cn[nH]c2c1)C#N
(2)InChI: InChI=1/C8H5N3/c9-4-6-2-1-3-8-7(6)5-10-11-8/h1-3,5H,(H,10,11)
(3)InChIKey: SBVHLMVTWNMOPU-UHFFFAOYAH

Product Name

1H-Indazole-4-carbonitrile

4-Cyano-1H-indazole Specification

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