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1H-Indazole, 3-phenyl-

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Name

1H-Indazole, 3-phenyl-

EINECS
CAS No. 13097-01-3 Density 1.211 g/cm3
Solubility Melting Point
Formula C13H10N2 Boiling Point 405.1 °C at 760 mmHg
Molecular Weight 194.2319 Flash Point 192.1 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 13097-01-3 (1H-Indazole, 3-phenyl-) Hazard Symbols
Synonyms

3-Phenyl-1H-indazole;3-Phenylindazole;NSC 174752;

 

1H-Indazole, 3-phenyl- Specification

The CAS register number of 1H-Indazole, 3-phenyl- is 13097-01-3. It also can be called as 3-Phenylindazole and the IUPAC name about this chemical is 3-phenyl-1H-indazole. The molecular formula about this chemical is C13H10N2 and the molecular weight is 194.2319.

Physical properties about 1H-Indazole, 3-phenyl- are: (1)ACD/LogP: 3.58; (2)ACD/LogD (pH 5.5): 3.58; (3)ACD/LogD (pH 7.4): 3.58; (4)ACD/BCF (pH 5.5): 308.18; (5)ACD/BCF (pH 7.4): 308.19; (6)ACD/KOC (pH 5.5): 2104.16; (7)ACD/KOC (pH 7.4): 2104.29; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 17.82 Å2; (12)Index of Refraction: 1.688; (13)Molar Refractivity: 61.21 cm3; (14)Molar Volume: 160.3 cm3; (15)Polarizability: 24.26x10-24cm3; (16)Surface Tension: 55.7 dyne/cm; (17)Density: 1.211 g/cm3; (18)Flash Point: 192.1 °C; (19)Enthalpy of Vaporization: 63.11 kJ/mol; (20)Boiling Point: 405.1 °C at 760 mmHg; (21)Vapour Pressure: 2.1E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: n2c(c1ccccc1n2)c3ccccc3
(2)InChI: InChI=1/C13H10N2/c1-2-6-10(7-3-1)13-11-8-4-5-9-12(11)14-15-13/h1-9H,(H,14,15)
(3)InChIKey: MXBKCOLSUUYOHT-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C13H10N2/c1-2-6-10(7-3-1)13-11-8-4-5-9-12(11)14-15-13/h1-9H,(H,14,15)
(5)Std. InChIKey: MXBKCOLSUUYOHT-UHFFFAOYSA-N

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