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6(5H)-Phenanthridinone, 1-nitro-

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Name

6(5H)-Phenanthridinone, 1-nitro-

EINECS N/A
CAS No. 26690-02-8 Density 1.409 g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C13H8N2O3 Boiling Point 340.8 °C at 760 mmHg
Molecular Weight 240.218 Flash Point 159.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 26690-02-8 (1-nitrophenanthridin-6(5H)-one) Hazard Symbols N/A
Synonyms

1-nitrophenanthridin-6(5H)-one;

 

6(5H)-Phenanthridinone, 1-nitro- Specification

The 6(5H)-Phenanthridinone, 1-nitro-, with the CAS registry number 26690-02-8, has the systamtic name of 1-nitrophenanthridin-6(5H)-one. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C13H8N2O3.

The characteristics of 6(5H)-Phenanthridinone, 1-nitro- are as followings: (1)ACD/LogP: 3.20; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 66.13 Å2; (7)Index of Refraction: 1.672; (8)Molar Refractivity: 63.81 cm3; (9)Molar Volume: 170.4 cm3; (10)Polarizability: 25.3×10-24cm3; (11)Surface Tension: 60.2 dyne/cm; (12)Density: 1.409 g/cm3; (13)Flash Point: 159.9 °C; (14)Enthalpy of Vaporization: 58.43 kJ/mol; (15)Boiling Point: 340.8 °C at 760 mmHg; (16)Vapour Pressure: 8.42E-05 mmHg at 25°C. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [O-][N+](=O)c3cccc1c3c2c(C(=O)N1)cccc2
(2)InChI: InChI=1/C13H8N2O3/c16-13-9-5-2-1-4-8(9)12-10(14-13)6-3-7-11(12)15(17)18/h1-7H,(H,14,16)
(3)InChIKey: YNLNOOJGSMSZEY-UHFFFAOYAG

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