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CAS No.: | 14434-10-7 |
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Name: | 2,4-dinitro-N-(2-nitrophenyl)aniline |
Molecular Structure: | |
Formula: | C12H8N4O6 |
Molecular Weight: | 304.219 |
Synonyms: | Diphenylamine,2,2',4-trinitro- (7CI,8CI);2,2',4-Trinitrodiphenylamine;2,4,6'-Trinitrodiphenylamine;NSC 406142;2,4-Dinitro-N-(2-nitrophenyl)aniline; |
EINECS: | 238-406-7 |
Density: | 1.592 g/cm3 |
Boiling Point: | 463 °C at 760 mmHg |
Flash Point: | 233.8 °C |
PSA: | 149.49000 |
LogP: | 4.79740 |
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The Benzenamine,2,4-dinitro-N-(2-nitrophenyl)-, with the CAS registry number 14434-10-7, is also known as 2,4,6'-Trinitrodiphenylamine. Its EINECS number is 238-406-7. This chemical's molecular formula is C12H8N4O6 and molecular weight is 304.22. What's more, its systematic name is 2,4-dinitro-N-(2-nitrophenyl)aniline.
Physical properties of Benzenamine,2,4-dinitro-N-(2-nitrophenyl)- are: (1)ACD/LogP: 4.54; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.54; (4)ACD/LogD (pH 7.4): 4.54; (5)ACD/BCF (pH 5.5): 1653.51; (6)ACD/BCF (pH 7.4): 1653.51; (7)ACD/KOC (pH 5.5): 7003.8; (8)ACD/KOC (pH 7.4): 7003.8; (9)#H bond acceptors: 10; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 140.7 Å2; (13)Index of Refraction: 1.717; (14)Molar Refractivity: 75.26 cm3; (15)Molar Volume: 190.9 cm3; (16)Polarizability: 29.83×10-24cm3; (17)Surface Tension: 77.6 dyne/cm; (18)Density: 1.592 g/cm3; (19)Flash Point: 233.8 °C; (20)Enthalpy of Vaporization: 72.42 kJ/mol; (21)Boiling Point: 463 °C at 760 mmHg; (22)Vapour Pressure: 9.42E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C(=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
(2)InChI: InChI=1S/C12H8N4O6/c17-14(18)8-5-6-10(12(7-8)16(21)22)13-9-3-1-2-4-11(9)15(19)20/h1-7,13H
(3)InChIKey: RHTGPRLQFAYVBM-UHFFFAOYSA-N