Product Name

  • Name

    5-((4-BroMo-2,6-difluorophenyl)difluoroMethoxy)-1,2,3-trifluorobenzene

  • EINECS 610-623-5
  • CAS No. 511540-64-0
  • Article Data4
  • CAS DataBase
  • Density 1.744 g/cm3
  • Solubility
  • Melting Point
  • Formula C13H4BrF7O
  • Boiling Point 334.579 °C at 760 mmHg
  • Molecular Weight 389.067
  • Flash Point 189.99 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 511540-64-0 (5-((4-BroMo-2,6-difluorophenyl)difluoroMethoxy)-1,2,3-trifluorobenzene)
  • Hazard Symbols
  • Synonyms 5-Bromo-2-[difluoro(3,4,5-trifluorophenoxy)methyl]-1,3-difluorobenzene;
  • PSA 9.23000
  • LogP 5.27290

5-[(4-Bromo-2,6-difluoro-phenyl)-difluoro-methoxy]-1,2,3-trifluoro-benzene Specification

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

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