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CAS No.: | 511540-64-0 |
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Name: | 5-((4-BroMo-2,6-difluorophenyl)difluoroMethoxy)-1,2,3-trifluorobenzene |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C13H4BrF7O |
Molecular Weight: | 389.067 |
Synonyms: | 5-Bromo-2-[difluoro(3,4,5-trifluorophenoxy)methyl]-1,3-difluorobenzene; |
EINECS: | 610-623-5 |
Density: | 1.744 g/cm3 |
Boiling Point: | 334.579 °C at 760 mmHg |
Flash Point: | 189.99 °C |
PSA: | 9.23000 |
LogP: | 5.27290 |
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The Benzene,5-[(4-bromo-2,6-difluorophenyl)difluoromethoxy]-1,2,3-trifluoro-, with the CAS registry number 511540-64-0, is also known as 5-Bromo-2-[difluoro(3,4,5-trifluorophenoxy)methyl]-1,3-difluorobenzene. This chemical's molecular formula is C13H4BrF7O and molecular weight is 389.06. What's more, its systematic name is called 5-[(4-Bromo-2,6-difluoro-phenyl)-difluoro-methoxy]-1,2,3-trifluoro-benzene.
Physical properties about Benzene,5-[(4-bromo-2,6-difluorophenyl)difluoromethoxy]-1,2,3-trifluoro- are: (1)ACD/LogP: 5.947; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.95; (4)ACD/LogD (pH 7.4): 5.95; (5)ACD/BCF (pH 5.5): 19498.04; (6)ACD/BCF (pH 7.4): 19498.04; (7)ACD/KOC (pH 5.5): 40960.18; (8)ACD/KOC (pH 7.4): 40960.18; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.494; (14)Molar Refractivity: 64.978 cm3; (15)Molar Volume: 223.123 cm3; (16)Polarizability: 25.759×10-24cm3; (17)Surface Tension: 32.587 dyne/cm; (18)Density: 1.744 g/cm3; (19)Flash Point: 189.99 °C; (20)Enthalpy of Vaporization: 55.465 kJ/mol; (21)Boiling Point: 334.579 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1cc(Br)cc(F)c1C(F)(F)Oc2cc(F)c(F)c(F)c2
(2) InChI: InChI=1S/C13H4BrF7O/c14-5-1-7(15)11(8(16)2-5)13(20,21)22-6-3-9(17)12(19)10(18)4-6/h1-4H
(3) InChIKey: SHRYZLBRADLPQN-UHFFFAOYSA-N