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CAS No.: | 10199-87-8 |
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Name: | 1,3-DINITRO-2,4-DIAMINO-BENZENE |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C6H6N4O4 |
Molecular Weight: | 198.138 |
Synonyms: | m-Phenylenediamine,2,4-dinitro- (7CI,8CI);2,4-Diamino-1,3-dinitrobenzene;2,4-Dinitro-1,3-diaminobenzene;2,4-Dinitro-1,3-phenylenediamine;2,4-Dinitro-m-phenylenediamine;1,3-Dinitro-2,4-diamino-benzene; |
Density: | 1.684 g/cm3 |
Boiling Point: | 482.481 °C at 760 mmHg |
Flash Point: | 245.596 °C |
PSA: | 143.68000 |
LogP: | 2.87620 |
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The 1,3-Benzenediamine,2,4-dinitro-, with the CAS registry number 10199-87-8, is also known as 2,4-Diamino-1,3-dinitrobenzene. This chemical's molecular formula is C6H6N4O4 and molecular weight is 198.14. What's more, its systematic name is 2,4-Dinitrobenzene-1,3-diamine.
Physical properties of 1,3-Benzenediamine,2,4-dinitro- are: (1)ACD/LogP: 1.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 192; (6)ACD/BCF (pH 7.4): 192; (7)ACD/KOC (pH 5.5): 1500; (8)ACD/KOC (pH 7.4): 1500; (9)#H bond acceptors: 8; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 143.68 Å2; (13)Index of Refraction: 1.747; (14)Molar Refractivity: 47.816 cm3; (15)Molar Volume: 117.677 cm3; (16)Polarizability: 18.956×10-24cm3; (17)Surface Tension: 97.635 dyne/cm; (18)Density: 1.684 g/cm3; (19)Flash Point: 245.596 °C; (20)Enthalpy of Vaporization: 74.739 kJ/mol; (21)Boiling Point: 482.481 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1c(N)ccc([N+]([O-])=O)c1N
(2)InChI: InChI=1S/C6H6N4O4/c7-3-1-2-4(9(11)12)5(8)6(3)10(13)14/h1-2H,7-8H2
(3)InChIKey: XLAYMSZDBFRXOO-UHFFFAOYSA-N