1,3-Benzenediamine,2,4-dinitro- supplier

Name
1,3-DINITRO-2,4-DIAMINO-BENZENE
EINECS
CAS No. 10199-87-8
Article Data9
CAS DataBase
Density 1.684 g/cm³
Solubility
Melting Point
Formula C₆H₆N₄O₄
Boiling Point 482.481 °C at 760 mmHg
Molecular Weight 198.138
Flash Point 245.596 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 143.68000
LogP 2.87620

1,3-Benzenediamine,2,4-dinitro- Specification

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

Product Name

1,3-DINITRO-2,4-DIAMINO-BENZENE

1,3-Benzenediamine,2,4-dinitro- Specification

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