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Benzenamine,2-[(2,4-dinitrophenyl)thio]-

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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 Molecular Structure of 14393-62-5 (2-[(2,4-dinitrophenyl)sulfanyl]aniline) 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

Benzenamine,2-[(2,4-dinitrophenyl)thio]- Specification

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

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