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Boronic acid,B-(4-methoxy-3-methylphenyl)-

  • Name Boronic acid,B-(4-methoxy-3-methylphenyl)-
  • EINECSN/A
  • CAS No. 175883-62-2
  • Density1.14 g/cm3
  • PSA49.69000
  • LogP-0.31660
  • SolubilityN/A
  • Melting Point205-210 °C(lit.)
  • FormulaC8H11BO3
  • Boiling Point321.4 °C at 760 mmHg
  • Molecular Weight165.985
  • Flash Point148.2 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety26-36/37/39
  • Risk Codes36/37/38
  • Molecular Structure
    Molecular Structure of 175883-62-2 (4-METHOXY-3-METHYLPHENYLBORONIC ACID)
  • Hazard SymbolsIrritantXi
  • SynonymsIrritantXi
  • Article Data5

Boronic acid,B-(4-methoxy-3-methylphenyl)- Specification

The Boronic acid,B-(4-methoxy-3-methylphenyl)-, with the CAS registry number 175883-62-2, has the systematic name of (4-methoxy-3-methylphenyl)boronic acid. It belongs to the product following categories: Blocks; BoronicAcids; Aryl; Boronic Acids; Boronic Acids and Derivatives; Organoborons. And the molecular formula of the chemical is C8H11BO3.

The characteristics of Boronic acid,B-(4-methoxy-3-methylphenyl)- are as followings: (1)ACD/LogP: 1.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.96; (4)ACD/LogD (pH 7.4): 1.95; (5)ACD/BCF (pH 5.5): 18.33; (6)ACD/BCF (pH 7.4): 17.88; (7)ACD/KOC (pH 5.5): 279.04; (8)ACD/KOC (pH 7.4): 272.33; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.52; (14)Molar Refractivity: 44.27 cm3; (15)Molar Volume: 145.5 cm3; (16)Polarizability: 17.55×10-24cm3; (17)Surface Tension: 41.1 dyne/cm; (18)Density: 1.14 g/cm3; (19)Flash Point: 148.2 °C; (20)Enthalpy of Vaporization: 59.45 kJ/mol; (21)Boiling Point: 321.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000124 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O(c1ccc(cc1C)B(O)O)C
(2)InChI: InChI=1/C8H11BO3/c1-6-5-7(9(10)11)3-4-8(6)12-2/h3-5,10-11H,1-2H3
(3)InChIKey: PXVDQGVAZBTFIB-UHFFFAOYAZ

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