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Benzenamine,N-methyl-2,4-dinitro-N-phenyl-6-(trifluoromethyl)- (63333-32-4)

Identification
Name:Benzenamine,N-methyl-2,4-dinitro-N-phenyl-6-(trifluoromethyl)-
Synonyms:N-Methyl-2,4-dinitro-N-phenyl-6-(trifluoromethyl)aniline;
CAS:63333-32-4
EINECS: 264-102-9
Molecular Formula: C14H10F3N3O4
Molecular Weight: 341.24
InChI: InChI=1/C14H10F3N3O4/c1-18(9-5-3-2-4-6-9)13-11(14(15,16)17)7-10(19(21)22)8-12(13)20(23)24/h2-8H,1H3
Molecular Structure: (C14H10F3N3O4) N-Methyl-2,4-dinitro-N-phenyl-6-(trifluoromethyl)aniline;
Properties
Density:1.475 g/cm3
Refractive index:1.593
Specification:

The N-Methyl-2,4-dinitro-N-phenyl-6-(trifluoromethyl)aniline with the CAS number 63333-32-4 is also called Benzenamine,N-methyl-2,4-dinitro-N-phenyl-6-(trifluoromethyl)-. Its molecular formula is C14H10F3N3O4. The EINECS registry number is 264-102-9. The classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance].

The properties of the N-Methyl-2,4-dinitro-N-phenyl-6-(trifluoromethyl)aniline are: (1)ACD/LogP: 5.28; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.28; (4)ACD/LogD (pH 7.4): 5.28; (5)ACD/BCF (pH 5.5): 6062.04; (6)ACD/BCF (pH 7.4): 6062.04; (7)ACD/KOC (pH 5.5): 17749.67; (8)ACD/KOC (pH 7.4): 17749.67; (9)#H bond acceptors: 7; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 94.88 Å2; (13)Index of Refraction: 1.593; (14)Molar Refractivity: 78.4 cm3; (15)Molar Volume: 231.2 cm3; (16)Polarizability: 31.08×10-24cm3; (17)Surface Tension: 49 dyne/cm; (18)Enthalpy of Vaporization: 67.03 kJ/mol; (19)Vapour Pressure: 3.67×10-7 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c2cc(cc(c2N(c1ccccc1)C)C(F)(F)F)[N+]([O-])=O
(2)InChI: InChI=1/C14H10F3N3O4/c1-18(9-5-3-2-4-6-9)13-11(14(15,16)17)7-10(19(21)22)8-12(13)20(23)24/h2-8H,1H3
(3)InChIKey: JYCNXMMTVIAGJC-UHFFFAOYAD

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