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| CAS No.: | 66684-57-9 |
|---|---|
| Name: | 1,2,5-trifluoro-3-nitrobenzene |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C6H2F3NO2 |
| Molecular Weight: | 177.083 |
| Synonyms: | 2,3,5-Trifluoronitrobenzene; |
| EINECS: | 266-446-5 |
| Density: | 1.554g/cm3 |
| Melting Point: | -20 °C (approx) |
| Boiling Point: | 214.2°Cat760mmHg |
| Flash Point: | 83.4°C |
| PSA: | 45.82000 |
| LogP: | 2.53530 |
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- Total:38 Page 1 of 1 1
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Specification
The 2,3,5-Trifluoronitrobenzene with its cas register number is 66684-57-9. It also can be called as Benzene,1,2,5-trifluoro-3-nitro- and the IUPAC Name about this chemical is 1,2,5-trifluoro-3-nitrobenzene.
Physical properties about 2,3,5-Trifluoronitrobenzene are: (1)ACD/LogP: 1.61; (2)ACD/LogD (pH 5.5): 1.61; (3)ACD/LogD (pH 7.4): 1.61; (4)ACD/BCF (pH 5.5): 9.83; (5)ACD/BCF (pH 7.4): 9.83; (6)ACD/KOC (pH 5.5): 178.69; (7)ACD/KOC (pH 7.4): 178.69; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 45.82Å2; (11)Index of Refraction: 1.487; (12)Molar Refractivity: 32.77 cm3; (13)Molar Volume: 113.9 cm3; (14)Polarizability: 12.99x10-24cm3; (15)Surface Tension: 38.7 dyne/cm; (16)Enthalpy of Vaporization: 43.22 kJ/mol; (17)Vapour Pressure: 0.23 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(C=C(C(=C1F)F)[N+](=O)[O-])F
(2)InChI: InChI=1S/C6H2F3NO2/c7-3-1-4(8)6(9)5(2-3)10(11)12/h1-2H
(3)InChIKey: MXOQPGDHOAMPJW-UHFFFAOYSA-N