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Cas Database |
| Name |
Benzenamine, 3-fluoro-2-methyl-6-nitro- |
EINECS | N/A |
| CAS No. | 485832-96-0 | Density | 1.371 g/cm3 |
| PSA | 71.84000 | LogP | 2.72890 |
| Solubility | N/A | Melting Point |
118-121 |
| Formula | C7H7FN2O2 | Boiling Point | 310.1 °C at 760 mmHg |
| Molecular Weight | 170.143 | Flash Point | 141.4 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1-Amino-3-fluoro-2-methyl-6-nitrobenzene; |
Article Data | 3 |
Benzenamine, 3-fluoro-2-methyl-6-nitro- Specification
The Benzenamine, 3-fluoro-2-methyl-6-nitro-, with the CAS registry number 485832-96-0, is also known as 1-Amino-3-fluoro-2-methyl-6-nitrobenzene. This chemical's molecular formula is C7H7FN2O2 and molecular weight is 170.14. What's more, its systematic name is 3-Fluoro-2-methyl-6-nitroaniline.
Physical properties about Benzenamine, 3-fluoro-2-methyl-6-nitro- are: (1)ACD/LogP: 2.54; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 49.06 Å2; (7)Index of Refraction: 1.589; (8)Molar Refractivity: 41.85 cm3; (9)Molar Volume: 124 cm3; (10)Polarizability: 16.59×10-24 cm3; (11)Surface Tension: 52.1 dyne/cm; (12)Density: 1.371 g/cm3; (13)Flash Point: 141.4 °C; (14)Enthalpy of Vaporization: 55.1 kJ/mol; (15)Boiling Point: 310.1 °C at 760 mmHg; (16)Vapour Pressure: 0.000611 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc([N+]([O-])=O)c(N)c1C
(2)InChI: InChI=1/C7H7FN2O2/c1-4-5(8)2-3-6(7(4)9)10(11)12/h2-3H,9H2,1H3
(3)InChIKey: CRPZQUGQOPIFPQ-UHFFFAOYAV
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