Product Name

  • Name

    (2,3,6-TRIMETHOXY)BENZENEBORONIC ACID

  • EINECS
  • CAS No. 380430-67-1
  • Article Data3
  • CAS DataBase
  • Density 1.21g/cm3
  • Solubility
  • Melting Point 34-40℃
  • Formula C9H13BO5
  • Boiling Point 405.7 °C at 760 mmHg
  • Molecular Weight 212.01
  • Flash Point 199.1 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 380430-67-1 ((2,3,6-TRIMETHOXY)BENZENEBORONIC ACID)
  • Hazard Symbols IrritantXi
  • Synonyms (2,3,6-TRIMETHOXY)BENZENEBORONIC ACID;2,3,6-TRIMETHOXYPHENYLBORONIC ACID;AKOS BRN-0423;Boronic acid, (2,3,6-trimethoxyphenyl)- (9CI);2,3,6-Trimethoxybenzeneboronic acid 95%
  • PSA 68.15000
  • LogP -0.60780

2,3,6-Trimethoxyphenylboronic acid Specification

The Boronic acid,(2,3,6-trimethoxyphenyl)- (9CI), with CAS registry number 380430-67-1, belongs to the following product categories: (1)Blocks; (2)Boronic Acids. It has the systematic name of (2,3,6-trimethoxyphenyl)boronic acid. And the chemical formula of this chemical is C9H13BO5.

Physical properties of Boronic acid,(2,3,6-trimethoxyphenyl)- (9CI): (1)ACD/LogP: 1.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.17; (4)ACD/LogD (pH 7.4): 1.1; (5)ACD/BCF (pH 5.5): 4.57; (6)ACD/BCF (pH 7.4): 3.88; (7)ACD/KOC (pH 5.5): 103.18; (8)ACD/KOC (pH 7.4): 87.69; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 46.15 Å2; (13)Index of Refraction: 1.513; (14)Molar Refractivity: 52.38 cm3; (15)Molar Volume: 174 cm3; (16)Polarizability: 20.76×10-24cm3; (17)Surface Tension: 43.6 dyne/cm; (18)Density: 1.21 g/cm3; (19)Flash Point: 199.1 °C; (20)Enthalpy of Vaporization: 69.31 kJ/mol; (21)Boiling Point: 405.7 °C at 760 mmHg; (22)Vapour Pressure: 2.61E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ccc(OC)c(B(O)O)c1OC)C
(2)InChI: InChI=1/C9H13BO5/c1-13-6-4-5-7(14-2)9(15-3)8(6)10(11)12/h4-5,11-12H,1-3H3
(3)InChIKey: PBJYOPCURLYSAG-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C9H13BO5/c1-13-6-4-5-7(14-2)9(15-3)8(6)10(11)12/h4-5,11-12H,1-3H3
(5)Std. InChIKey: PBJYOPCURLYSAG-UHFFFAOYSA-N

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