CAS No.69411-67-2,2-Fluoro-4-nitrobenzotrifluoride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	69411-67-2
Name:	2-Fluoro-4-nitrobenzotrifluoride
Article Data:	2

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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Specification

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