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CAS No.: | 153338-23-9 |
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Name: | 1,3-Difluoro-2-(trifluoromethoxy)benzene |
Molecular Structure: | |
Formula: | C7H3F5O |
Molecular Weight: | 198.09 |
Synonyms: | 2,6-Difluoro(trifluoromethoxy)benzene; |
Density: | 1.432 g/cm3 |
Boiling Point: | 118 °C at 760 mmHg |
Flash Point: | 30.8 °C |
PSA: | 9.23000 |
LogP: | 2.86340 |
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The Benzene,1,3-difluoro-2-(trifluoromethoxy)-, with the CAS registry number 153338-23-9, is also known as 2,6-Difluoro(trifluoromethoxy)benzene. It belongs to the product categories of Aromatics Compounds; Aromatics; Intermediates & Fine Chemicals; Pharmaceuticals. This chemical's molecular formula is C7H3F5O and molecular weight is 198.09. What's more, its systematic name is 1,3-difluoro-2-(trifluoromethoxy)benzene.
Physical properties of Benzene,1,3-difluoro-2-(trifluoromethoxy)- are: (1)ACD/LogP: 3.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.21; (4)ACD/LogD (pH 7.4): 3.21; (5)ACD/BCF (pH 5.5): 162.04; (6)ACD/BCF (pH 7.4): 162.04; (7)ACD/KOC (pH 5.5): 1328.15; (8)ACD/KOC (pH 7.4): 1328.15; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: Å2; (13)Index of Refraction: 1.398; (14)Molar Refractivity: 33.37 cm3; (15)Molar Volume: 138.2 cm3; (16)Polarizability: 13.23×10-24cm3; (17)Surface Tension: 22.7 dyne/cm; (18)Density: 1.432 g/cm3; (19)Flash Point: 30.8 °C; (20)Enthalpy of Vaporization: 34.15 kJ/mol; (21)Boiling Point: 118 °C at 760 mmHg; (22)Vapour Pressure: 20.2 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)Oc1c(F)cccc1F
(2)Std. InChI: InChI=1S/C7H3F5O/c8-4-2-1-3-5(9)6(4)13-7(10,11)12/h1-3H
(3)Std. InChIKey: CETQITNIBDFSTM-UHFFFAOYSA-N