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29808-81-9

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Basic Information
CAS No.: 29808-81-9
Name: 2-NITROACRIDINE
Article Data: 10
Molecular Structure:
Molecular Structure of 29808-81-9 (2-NITROACRIDINE)
Formula: C13H8N2O2
Molecular Weight: 224.219
Synonyms: NSC 170669;2-nitroacridine;
Density: 1.377 g/cm3
Melting Point: 210-212 °C
Boiling Point: 435.2 °C at 760 mmHg
Flash Point: 217 °C
Hazard Symbols: Xi
PSA: 58.71000
LogP: 3.81940
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Specification

The Acridine, 2-nitro-, with the CAS registry number 29808-81-9, has the systematic name of 2-nitroacridine. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C13H8N2O2.

The characteristics of Acridine, 2-nitro- are as followings: (1)ACD/LogP: 3.13; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 58.71 Å2; (7)Index of Refraction: 1.754; (8)Molar Refractivity: 66.57 cm3; (9)Molar Volume: 162.7 cm3; (10)Polarizability: 26.39×10-24cm3; (11)Surface Tension: 66.4 dyne/cm; (12)Density: 1.377 g/cm3; (13)Flash Point: 217 °C; (14)Enthalpy of Vaporization: 66.47 kJ/mol; (15)Boiling Point: 435.2 °C at 760 mmHg; (16)Vapour Pressure: 2.27E-07 mmHg at 25°C. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [O-][N+](=O)c2cc1cc3c(nc1cc2)cccc3
(2)InChI: InChI=1/C13H8N2O2/c16-15(17)11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)14-13/h1-8H
(3)InChIKey: VAPQAGMSICPBKJ-UHFFFAOYAY