N-Methyl-2,4-dinitro-N-phenyl-6-(trifluoromethyl)aniline supplier

Name
N-Methyl-2,4-dinitro-N-phenyl-6-(trifluoromethyl)aniline
EINECS 264-102-9
CAS No. 63333-32-4
Article Data3
CAS DataBase
Density 1.475 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₀F₃N₃O₄
Boiling Point 417 °C at 760 mmHg
Molecular Weight 341.246
Flash Point 206 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms N-Methyl-2,4-dinitro-N-phenyl-6-(trifluoromethyl)aniline;
PSA 94.88000
LogP 5.33610

N-Methyl-2,4-dinitro-N-phenyl-6-(trifluoromethyl)aniline 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

Product Name

N-Methyl-2,4-dinitro-N-phenyl-6-(trifluoromethyl)aniline

N-Methyl-2,4-dinitro-N-phenyl-6-(trifluoromethyl)aniline Specification

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