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Name |
3,10-Dinitrophenanthrene |
EINECS | N/A |
CAS No. | 159092-73-6 | Density | 1.479 g/cm3 |
PSA | 91.64000 | LogP | 4.85580 |
Solubility | N/A | Melting Point |
N/A |
Formula | C14H8N2O4 | Boiling Point | 496.4 °C at 760 mmHg |
Molecular Weight | 268.229 | Flash Point | 254.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3,10-Dinitrophenanthrene; |
Article Data | 1 |
This chemical is called 3,10-Dinitrophenanthrene, and it can also be named as phenanthrene, 3,10-dinitro-. With the molecular formula of C14H8N2O4, its molecular weight is 268.22. The CAS registry number of this chemical is 159092-73-6, and its classification code is Mutation data.
Other characteristics of the 3,10-Dinitrophenanthrene can be summarised as followings: (1)ACD/LogP: 4.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.25; (4)ACD/LogD (pH 7.4): 4.25; (5)ACD/BCF (pH 5.5): 1003.04; (6)ACD/BCF (pH 7.4): 1003.04; (7)ACD/KOC (pH 5.5): 4897.14; (8)ACD/KOC (pH 7.4): 4897.14; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 91.64 Å2; (13)Index of Refraction: 1.765; (14)Molar Refractivity: 75.02 cm3; (15)Molar Volume: 181.3 cm3; (16)Polarizability: 29.74×10-24cm3; (17)Surface Tension: 70.7 dyne/cm; (18)Density: 1.479 g/cm3; (19)Flash Point: 254.9 °C; (20)Enthalpy of Vaporization: 73.51 kJ/mol; (21)Boiling Point: 496.4 °C at 760 mmHg; (22)Vapour Pressure: 1.66E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: [O-][N+](=O)c2cc1ccccc1c3c2ccc([N+]([O-])=O)c3
2.InChI: InChI=1/C14H8N2O4/c17-15(18)10-5-6-12-13(8-10)11-4-2-1-3-9(11)7-14(12)16(19)20/h1-8H
3.InChIKey: DQBMGNWHYUFBJA-UHFFFAOYAG