Product Name

  • Name

    2-METHOXY-5-TRIFLUOROMETHYLPHENYLBORONIC ACID

  • EINECS
  • CAS No. 240139-82-6
  • Article Data3
  • CAS DataBase
  • Density 1.36 g/cm3
  • Solubility
  • Melting Point 144-148℃
  • Formula C8H8BF3O3
  • Boiling Point 325.4 °C at 760 mmHg
  • Molecular Weight 219.956
  • Flash Point 150.6 °C
  • Transport Information
  • Appearance
  • Safety 26
  • Risk Codes 36
  • Molecular Structure Molecular Structure of 240139-82-6 (2-METHOXY-5-TRIFLUOROMETHYLPHENYLBORONIC ACID)
  • Hazard Symbols IrritantXi
  • Synonyms Boronicacid, [2-methoxy-5-(trifluoromethyl)phenyl]- (9CI);2-Methoxy-5-(trifluoromethyl)benzeneboronic acid;[2-Methoxy-5-(trifluoromethyl)phenyl]boronic acid;
  • PSA 49.69000
  • LogP 0.39380

Boronic acid,B-[2-methoxy-5-(trifluoromethyl)phenyl]- Specification

The Boronic acid,B-[2-methoxy-5-(trifluoromethyl)phenyl]- is an organic compound with the formula C8H8BF3O3. The systematic name of this chemical is [2-methoxy-5-(trifluoromethyl)phenyl]boronic acid. With the CAS registry number 240139-82-6, the product's categories are Blocks; BoronicAcids; FluoroCompounds; Boronic Acids & Esters; Phenyls & Phenyl-Het; Boronic Acids & Esters; Phenyls & Phenyl-Het; Aryl; Organoborons.

Physical properties about Boronic acid,B-[2-methoxy-5-(trifluoromethyl)phenyl]- are: (1)ACD/LogP: 2.77; (2)ACD/LogD (pH 5.5): 2.76; (3)ACD/LogD (pH 7.4): 2.55; (4)ACD/BCF (pH 5.5): 74.19; (5)ACD/BCF (pH 7.4): 44.77; (6)ACD/KOC (pH 5.5): 757.48; (7)ACD/KOC (pH 7.4): 457.09; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 27.69 Å2; (12)Index of Refraction: 1.464; (13)Molar Refractivity: 44.64 cm3; (14)Molar Volume: 161.5 cm3; (15)Polarizability: 17.69×10-24cm3; (16)Surface Tension: 34.7 dyne/cm; (17)Density: 1.36 g/cm3; (18)Flash Point: 150.6 °C; (19)Enthalpy of Vaporization: 59.9 kJ/mol; (20)Boiling Point: 325.4 °C at 760 mmHg; (21)Vapour Pressure: 9.44E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1ccc(OC)c(B(O)O)c1
(2)InChI: InChI=1/C8H8BF3O3/c1-15-7-3-2-5(8(10,11)12)4-6(7)9(13)14/h2-4,13-14H,1H3
(3)InChIKey: PXDQUMRSSQYJSX-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C8H8BF3O3/c1-15-7-3-2-5(8(10,11)12)4-6(7)9(13)14/h2-4,13-14H,1H3
(5)Std. InChIKey: PXDQUMRSSQYJSX-UHFFFAOYSA-N

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