Product Name

  • Name

    B-(9,10-Diphenyl-2-anthracenyl)boronic acid

  • EINECS
  • CAS No. 597553-98-5
  • Article Data10
  • CAS DataBase
  • Density 1.28 g/cm3
  • Solubility
  • Melting Point
  • Formula C26H19BO2
  • Boiling Point 569.6 °C at 760 mmHg
  • Molecular Weight 374.247
  • Flash Point 298.3 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 597553-98-5 (B-(9,10-Diphenyl-2-anthracenyl)boronic acid)
  • Hazard Symbols
  • Synonyms B-(9,10-Diphenyl-2-anthracenyl)boronic acid
  • PSA 40.46000
  • LogP 5.00680

B-(9,10-Diphenyl-2-anthracenyl)boronic acid Specification

The CAS register number of B-(9,10-Diphenyl-2-anthracenyl)boronic acid is 597553-98-5. The systematic name about this chemical is (9,10-diphenylanthracen-2-yl)boronic acid. The molecular formula about this chemical is C26H19BO2 and the molecular weight is 374.24.

Physical properties about B-(9,10-Diphenyl-2-anthracenyl)boronic acid are: (1)ACD/LogP: 7.57; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.56; (4)ACD/LogD (pH 7.4): 7.53; (5)ACD/BCF (pH 5.5): 330577.5; (6)ACD/BCF (pH 7.4): 303965.19; (7)ACD/KOC (pH 5.5): 310549.78; (8)ACD/KOC (pH 7.4): 285549.75; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 40.46Å2; (13)Index of Refraction: 1.739; (14)Molar Refractivity: 117.81 cm3; (15)Molar Volume: 292.3 cm3; (16)Polarizability: 46.7x10-24cm3; (17)Surface Tension: 63.5 dyne/cm; (18)Enthalpy of Vaporization: 89.9 kJ/mol; (19)Boiling Point: 569.6 °C at 760 mmHg; (20)Vapour Pressure: 8.17E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OB(O)c3cc4c(c1ccccc1c(c2ccccc2)c4cc3)c5ccccc5
(2)InChI: InChI=1/C26H19BO2/c28-27(29)20-15-16-23-24(17-20)26(19-11-5-2-6-12-19)22-14-8-7-13-21(22)25(23)18-9-3-1-4-10-18/h1-17,28-29H
(3)InChIKey: MVUDLJXJTYSUGF-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C26H19BO2/c28-27(29)20-15-16-23-24(17-20)26(19-11-5-2-6-12-19)22-14-8-7-13-21(22)25(23)18-9-3-1-4-10-18/h1-17,28-29H
(5)Std. InChIKey: MVUDLJXJTYSUGF-UHFFFAOYSA-N

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