9H-carbazole; 2,4,6-trinitrophenol supplier

Name
2,4,6-trinitrophenol - 9H-carbazole (1:1)
EINECS
CAS No. 24171-69-5
Article Data1
CAS DataBase
Density
Solubility
Melting Point
Formula C₁₈H₁₂N₄O₇
Boiling Point 303.6 °C at 760 mmHg
Molecular Weight 396.31
Flash Point 133.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,4,6-Trinitrophenol - 9H-carbazole (1:1);
PSA
LogP

9H-carbazole; 2,4,6-trinitrophenol Specification

The 9H-carbazole; 2,4,6-trinitrophenol has the CAS registry number 24171-69-5. This chemical's molecular formula is C₁₈H₁₂N₄O₇ and molecular weight is 396.31. What's more, its systematic name is 2,4,6-Trinitrophenol - 9H-carbazole (1:1).

Physical properties of 9H-carbazole; 2,4,6-trinitrophenol are: (1)ACD/LogP: 1.84; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 10; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 146.69 Å²; (7)Flash Point: 133.9 °C; (8)Enthalpy of Vaporization: 56.56 kJ/mol; (9)Boiling Point: 303.6 °C at 760 mmHg; (10)Vapour Pressure: 0.000514 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cc([N+]([O-])=O)cc([N+]([O-])=O)c1O.c1cccc3c1c2c(cccc2)n3
(2)InChI: InChI=1/C12H9N.C6H3N3O7/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-8,13H;1-2,10H
(3)InChIKey: FADRGCWXNPAFBJ-UHFFFAOYAC

Product Name

2,4,6-trinitrophenol - 9H-carbazole (1:1)

9H-carbazole; 2,4,6-trinitrophenol Specification

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