5-Nitro-3-phenyl-1H-indazole supplier

Name
5-Nitro-3-phenyl-1H-indazole
EINECS
CAS No. 293758-67-5
Article Data6
CAS DataBase
Density 1.389 g/cm³
Solubility
Melting Point
Formula C₁₃H₉N₃O₂
Boiling Point 491.8 °C at 760 mmHg
Molecular Weight 239.233
Flash Point 251.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Indazole, 5-nitro-3-phenyl-;
PSA 74.50000
LogP 3.66130

5-Nitro-3-phenyl-1H-indazole Specification

The 5-Nitro-3-phenyl-1H-indazole, with the CAS registry number 293758-67-5, has the systematic name and IUPAC name of 5-nitro-3-phenyl-1H-indazole. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₁₃H₉N₃O₂.

The characteristics of 5-Nitro-3-phenyl-1H-indazole are as followings: (1)ACD/LogP: 3.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.79; (4)ACD/LogD (pH 7.4): 3.79; (5)ACD/BCF (pH 5.5): 445.07; (6)ACD/BCF (pH 7.4): 445.02; (7)ACD/KOC (pH 5.5): 2737.45; (8)ACD/KOC (pH 7.4): 2737.16; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 63.64 Å²; (13)Index of Refraction: 1.716; (14)Molar Refractivity: 67.75 cm³; (15)Molar Volume: 172.2 cm³; (16)Polarizability: 26.86×10^-24cm³; (17)Surface Tension: 67.5 dyne/cm; (18)Density: 1.389 g/cm³; (19)Flash Point: 251.2 °C; (20)Enthalpy of Vaporization: 72.98 kJ/mol; (21)Boiling Point: 491.8 °C at 760 mmHg; (22)Vapour Pressure: 2.44E-09 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [O-][N+](=O)c1cc2c(cc1)nnc2c3ccccc3
(2)InChI: InChI=1/C13H9N3O2/c17-16(18)10-6-7-12-11(8-10)13(15-14-12)9-4-2-1-3-5-9/h1-8H,(H,14,15)
(3)InChIKey: XTLYDYMVKAGVIN-UHFFFAOYAS

Product Name

5-Nitro-3-phenyl-1H-indazole

5-Nitro-3-phenyl-1H-indazole Specification

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