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Name |
Benzenamine,2-[(2,4-dinitrophenyl)thio]- |
EINECS | N/A |
CAS No. | 14393-62-5 | Density | 1.52 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H9N3O4S | Boiling Point | 449.5 °C at 760 mmHg |
Molecular Weight | 291.287 | Flash Point | 225.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Aniline,o-[(2,4-dinitrophenyl)thio]- (6CI,7CI,8CI);2-Amino-2',4'-dinitrodiphenylsulfide;NSC 30361;o-[(2,4-Dinitrophenyl)thio]aniline;2-[(2,4-Dinitrophenyl)sulfanyl]aniline; |
Article Data | 5 |
The Benzenamine,2-[(2,4-dinitrophenyl)thio]-, with the CAS registry number 14393-62-5, is also known as 2-Amino-2',4'-dinitrodiphenylsulfide. This chemical's molecular formula is C12H9N3O4S and molecular weight is 291.28. What's more, its systematic name is 2-[(2,4-dinitrophenyl)sulfanyl]aniline.
Physical properties of Benzenamine,2-[(2,4-dinitrophenyl)thio]- are: (1)ACD/LogP: 2.38; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 7; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 120.18 Å2; (7)Index of Refraction: 1.716; (8)Molar Refractivity: 75.15 cm3; (9)Molar Volume: 191 cm3; (10)Polarizability: 29.79×10-24cm3; (11)Surface Tension: 80.3 dyne/cm; (12)Density: 1.52 g/cm3; (13)Flash Point: 225.6 °C; (14)Enthalpy of Vaporization: 70.82 kJ/mol; (15)Boiling Point: 449.5 °C at 760 mmHg; (16)Vapour Pressure: 2.85E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c2ccc(Sc1ccccc1N)c([N+]([O-])=O)c2
(2)InChI: InChI=1S/C12H9N3O4S/c13-9-3-1-2-4-11(9)20-12-6-5-8(14(16)17)7-10(12)15(18)19/h1-7H,13H2
(3)InChIKey: NJAHRSCGCZDFPB-UHFFFAOYSA-N