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CAS No.: | 69411-67-2 |
---|---|
Name: | 2-Fluoro-4-nitrobenzotrifluoride |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C7H3F4NO2 |
Molecular Weight: | 209.1 |
Synonyms: | 2-Fluoro-4-nitro-1-trifluoromethylbenzene;4-Nitro-2-Fluorobenzotrifluoride; |
Density: | 1.504 g/cm3 |
Boiling Point: | 224.751 °C at 760 mmHg |
Flash Point: | 89.727 °C |
PSA: | 45.82000 |
LogP: | 3.27590 |
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The Benzene,2-fluoro-4-nitro-1-(trifluoromethyl)-, with the CAS registry number 69411-67-2, is also known as 4-Nitro-2-Fluorobenzotrifluoride. This chemical's molecular formula is C7H3F4NO2 and molecular weight is 209.10. What's more, its systematic name is 2-Fluoro-4-nitro-1-(trifluoromethyl)benzene.
Physical properties of Benzene,2-fluoro-4-nitro-1-(trifluoromethyl)- are: (1)ACD/LogP: 2.525; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.53; (4)ACD/LogD (pH 7.4): 2.53; (5)ACD/BCF (pH 5.5): 48.85; (6)ACD/BCF (pH 7.4): 48.85; (7)ACD/KOC (pH 5.5): 562.97; (8)ACD/KOC (pH 7.4): 562.97; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.82 Å2; (13)Index of Refraction: 1.456; (14)Molar Refractivity: 37.772 cm3; (15)Molar Volume: 138.995 cm3; (16)Polarizability: 14.974×10-24cm3; (17)Surface Tension: 30.67 dyne/cm; (18)Density: 1.504 g/cm3; (19)Flash Point: 89.727 °C; (20)Enthalpy of Vaporization: 44.25 kJ/mol; (21)Boiling Point: 224.751 °C at 760 mmHg; (22)Vapour Pressure: 0.134 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1ccc(cc1F)N(=O)=O
(2)Std. InChI: InChI=1S/C7H3F4NO2/c8-6-3-4(12(13)14)1-2-5(6)7(9,10)11/h1-3H
(3)Std. InChIKey: XYKVQPNHGFUXBS-UHFFFAOYSA-N