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Name |
Benzene, 1-fluoro-2-nitro-4-(trifluoromethoxy)- |
EINECS | N/A |
CAS No. | 124170-06-5 | Density | 1.543 g/cm3 |
PSA | 55.05000 | LogP | 3.15570 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H3F4NO3 | Boiling Point | 234.7 °C at 760 mmHg |
Molecular Weight | 225.099 | Flash Point | 95.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-Fluoro-2-nitro-4-(trifluoromethoxy)benzene;4-Fluoro-3-nitrophenyl trifluoromethyl ether;2-Nitro-4-(trifluoromethoxy)fluorobenzene; |
Article Data | 3 |
The Benzene, 1-fluoro-2-nitro-4-(trifluoromethoxy)-, with the CAS registry number 124170-06-5, is also known as 4-Fluoro-3-nitrophenyl trifluoromethyl ether. This chemical's molecular formula is C7H3F4NO3 and molecular weight is 225.1. What's more, its systematic name is 1-fluoro-2-nitro-4-(trifluoromethoxy)benzene.
Physical properties of Benzene, 1-fluoro-2-nitro-4-(trifluoromethoxy)- are: (1)ACD/LogP: 3.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.02; (4)ACD/LogD (pH 7.4): 3.02; (5)ACD/BCF (pH 5.5): 116.07; (6)ACD/BCF (pH 7.4): 116.07; (7)ACD/KOC (pH 5.5): 1046.03; (8)ACD/KOC (pH 7.4): 1046.03; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 55.05 Å2; (13)Index of Refraction: 1.459; (14)Molar Refractivity: 39.92 cm3; (15)Molar Volume: 145.8 cm3; (16)Polarizability: 15.82×10-24cm3; (17)Surface Tension: 33.2 dyne/cm; (18)Density: 1.543 g/cm3; (19)Flash Point: 95.7 °C; (20)Enthalpy of Vaporization: 45.23 kJ/mol; (21)Boiling Point: 234.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0799 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)Oc1ccc(F)c(c1)N(=O)=O
(2)InChI: InChI=1S/C7H3F4NO3/c8-5-2-1-4(15-7(9,10)11)3-6(5)12(13)14/h1-3H
(3)InChIKey: XWFNBCCMBGKMFB-UHFFFAOYSA-N