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Boronic acid, [4-(nonyloxy)phenyl]-(9CI)

  • Name Boronic acid, [4-(nonyloxy)phenyl]-(9CI)
  • EINECSN/A
  • CAS No. 173392-87-5
  • Density1.01 g/cm3
  • PSA49.69000
  • LogP2.49580
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC15H25BO3
  • Boiling Point408.4 °C at 760 mmHg
  • Molecular Weight264.173
  • Flash Point200.8 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk Codes Xi:Irritant;
  • Molecular Structure
    Molecular Structure of 173392-87-5 (4-(N-NONYLOXY)BENZENEBORONIC ACID)
  • Hazard SymbolsIrritantXi
  • SynonymsIrritantXi
  • Article Data7

Boronic acid, [4-(nonyloxy)phenyl]-(9CI) Specification

The Boronic acid, [4-(nonyloxy)phenyl]-(9CI) is an organic compound with the formula C15H25BO3. The systematic name of this chemical is [4-(Nonyloxy)phenyl]boronic acid. With the CAS registry number 173392-87-5, it is also named as 4-(n-Nonyloxy)benzeneboronic acid. Besides, its molecular weight is 264.17.

Physical properties about Boronic acid, [4-(nonyloxy)phenyl]-(9CI) are: (1)ACD/LogP: 5.76; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.76; (4)ACD/LogD (pH 7.4): 5.74; (5)ACD/BCF (pH 5.5): 13927.5; (6)ACD/BCF (pH 7.4): 13296.78; (7)ACD/KOC (pH 5.5): 32188.27; (8)ACD/KOC (pH 7.4): 30730.58; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.5; (14)Molar Refractivity: 76.7 cm3; (15)Molar Volume: 260.4 cm3; (16)Polarizability: 30.4×10-24 cm3; (17)Surface Tension: 38.9 dyne/cm; (18)Density: 1.01 g/cm3; (19)Flash Point: 200.8 °C; (20)Enthalpy of Vaporization: 69.63 kJ/mol; (21)Boiling Point: 408.4 °C at 760 mmHg; (22)Vapour Pressure: 2.11E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C15H25BO3/c1-2-3-4-5-6-7-8-13-19-15-11-9-14(10-12-15)16(17)18/h9-12,17-18H,2-8,13H2,1H3
(2)InChIKey: XAJSPPCQRRBXGB-UHFFFAOYAS
(3)Std. InChI: InChI=1S/C15H25BO3/c1-2-3-4-5-6-7-8-13-19-15-11-9-14(10-12-15)16(17)18/h9-12,17-18H,2-8,13H2,1H3
(4)Std. InChIKey: XAJSPPCQRRBXGB-UHFFFAOYSA-N

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