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Name |
[1,1'-Biphenyl]-4,4'-diamine,3,3'-dinitro- |
EINECS | 228-457-3 |
CAS No. | 6271-79-0 | Density | 1.498 g/cm3 |
PSA | 143.68000 | LogP | 4.54320 |
Solubility | N/A | Melting Point |
275 °C |
Formula | C12H10N4O4 | Boiling Point | 497.4 °C at 760 mmHg |
Molecular Weight | 274.236 | Flash Point | 254.6 °C |
Transport Information | N/A | Appearance | Brown Oily Solid |
Safety | 22-36/37/39 | Risk Codes | 20/21/22 |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Benzidine,3,3'-dinitro- (6CI,7CI,8CI);3,3'-Dinitro-1,1'-biphenyl-4,4'-diamine;3,3'-Dinitrobenzidine;NSC 37067; |
Article Data | 29 |
The [1,1'-Biphenyl]-4,4'-diamine,3,3'-dinitro-, with the CAS registry number 6271-79-0, is also known as 3,3'-Dinitrobenzidine. It belongs to the product category of Aromatics. Its EINECS number is 228-457-3. This chemical's molecular formula is C12H10N4O4 and molecular weight is 274.23. What's more, its IUPAC name is 4-(4-amino-3-nitrophenyl)-2-nitroaniline. Its classification code is Mutation data.
Physical properties of [1,1'-Biphenyl]-4,4'-diamine,3,3'-dinitro- are: (1)ACD/LogP: 2.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.95; (4)ACD/LogD (pH 7.4): 2.95; (5)ACD/BCF (pH 5.5): 102.87; (6)ACD/BCF (pH 7.4): 102.87; (7)ACD/KOC (pH 5.5): 959.44; (8)ACD/KOC (pH 7.4): 959.44; (9)#H bond acceptors: 8; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 98.12 Å2; (13)Index of Refraction: 1.721; (14)Molar Refractivity: 72.4 cm3; (15)Molar Volume: 182.9 cm3; (16)Polarizability: 28.7×10-24cm3; (17)Surface Tension: 77.7 dyne/cm; (18)Density: 1.498 g/cm3; (19)Flash Point: 254.6 °C; (20)Enthalpy of Vaporization: 76.53 kJ/mol; (21)Boiling Point: 497.4 °C at 760 mmHg; (22)Vapour Pressure: 4.98E-10 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. You should not breathe dust. When using it, you need wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1C2=CC(=C(C=C2)N)[N+](=O)[O-])[N+](=O)[O-])N
(2)InChI: InChI=1S/C12H10N4O4/c13-9-3-1-7(5-11(9)15(17)18)8-2-4-10(14)12(6-8)16(19)20/h1-6H,13-14H2
(3)InChIKey: OCEINMLGYDSKFW-UHFFFAOYSA-N