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Basic Information
CAS No.: 71002-88-5
Name: 4-(5-nitro-H-benzimidazol-2-yl)aniline
Molecular Structure:
Molecular Structure of 71002-88-5 (4-(5-nitro-H-benzimidazol-2-yl)aniline)
Formula: C13H10N4O2
Molecular Weight: 254.248
Synonyms: Benzenamine,4-(5-nitro-1H-benzimidazol-2-yl)- (9CI);Benzenamine, 4-(6-nitro-1H-benzimidazol-2-yl)-;4-(6-nitro-1H-benzimidazol-2-yl)aniline;Benzenamine, 4-(5-nitro-1H-benzimidazol-2-yl)-;4-(5-Nitro-1H-benzimidazol-2-yl)aniline;
EINECS: 275-115-4
Density: 1.456 g/cm3
Boiling Point: 551.3 °C at 760 mmHg
Flash Point: 287.2 °C
PSA: 100.52000
LogP: 3.82470
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Specification

The Benzenamine,4-(6-nitro-1H-benzimidazol-2-yl)-, with cas registry number of 71002-88-5 and EINECS registry number 275-115-4, has the systematic name of 4-(6-nitro-1H-benzimidazol-2-yl)aniline. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C13H10N4O2.

The characteristics of Benzenamine,4-(6-nitro-1H-benzimidazol-2-yl)- are as followings: (1)ACD/LogP: 1.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.83; (4)ACD/LogD (pH 7.4): 1.85; (5)ACD/BCF (pH 5.5): 14.33; (6)ACD/BCF (pH 7.4): 14.98; (7)ACD/KOC (pH 5.5): 230.09; (8)ACD/KOC (pH 7.4): 240.41; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 66.88 Å2; (13)Index of Refraction: 1.762; (14)Molar Refractivity: 71.99 cm3; (15)Molar Volume: 174.5 cm3; (16)Polarizability: 28.54×10-24cm3; (17)Surface Tension: 78.5 dyne/cm; (18)Density: 1.456 g/cm3; (19)Flash Point: 287.2 °C; (20)Enthalpy of Vaporization: 83.15 kJ/mol; (21)Boiling Point: 551.3 °C at 760 mmHg; (22)Vapour Pressure: 3.37E-12 mmHg at 25°C. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [O-][N+](=O)c3cc1c(nc(n1)c2ccc(N)cc2)cc3
(2)InChI: InChI=1/C13H10N4O2/c14-9-3-1-8(2-4-9)13-15-11-6-5-10(17(18)19)7-12(11)16-13/h1-7H,14H2,(H,15,16)
(3)InChIKey: VQAXRPAGHNBDHU-UHFFFAOYAO