Basic information
- Name:
Benzo[k]benz[a]anthracene,7-nitro-
- CAS No.:
63041-91-8
- Molecular Structure:
![Molecular Structure of 63041-91-8 (Benzo[k]benz[a]anthracene,7-nitro-)](http://www.lookchem.com/300w/20100309/63041-91-8.gif)
- Formula:
- C22H13NO2
- Molecular Weight:
- 323.3441
- Synonyms:
- Dibenz[a,h]anthracene,7-nitro- (9CI);7-Nitrodibenz[a,h]anthracene;
- Density:
- 1.36 g/cm3
- Boiling Point:
- 578 °C at 760 mmHg
- Flash Point:
- 284 °C
Famous Chemical Enterprises
-
Livzon -
Total -
Shell -
Dupont -
Exxonmobil -
Akzonobel -
Basf -
Bayer -
BP
Please post your buying leads,so that our qualified suppliers will soon
contact you!
*Required Fields
Specification
The Benzo[k]benz[a]anthracene,7-nitro-, with the CAS registry number 63041-91-8, is also known as Dibenz(a,h)anthracene, 7-nitro-. This chemical's molecular formula is C22H13NO2 and molecular weight is 323.34. Its IUPAC name is called 14-nitronaphtho[1,2-b]phenanthrene.
Physical properties of Benzo[k]benz[a]anthracene,7-nitro-: (1)ACD/LogP: 6.87; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.87; (4)ACD/LogD (pH 7.4): 6.87; (5)ACD/BCF (pH 5.5): 98184.52; (6)ACD/BCF (pH 7.4): 98184.52; (7)ACD/KOC (pH 5.5): 130281.7; (8)ACD/KOC (pH 7.4): 130281.7; (9)#H bond acceptors: 3; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.827; (12)Molar Refractivity: 104.16 cm3; (13)Molar Volume: 237.7 cm3; (14)Surface Tension: 66.1 dyne/cm; (15)Density: 1.36 g/cm3; (16)Flash Point: 284 °C; (17)Enthalpy of Vaporization: 83.31 kJ/mol; (18)Boiling Point: 578 °C at 760 mmHg; (19)Vapour Pressure: 9.33E-13 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c5c2c1ccccc1ccc2cc4c5ccc3ccccc34
(2)InChI: InChI=1/C22H13NO2/c24-23(25)22-19-12-11-14-5-1-3-7-17(14)20(19)13-16-10-9-15-6-2-4-8-18(15)21(16)22/h1-13H
(3)InChIKey: ZZMDJBHMGFRFEK-UHFFFAOYAO
