Product Name

  • Name

    2-METHOXY-4-METHYL-PYRIDINE-5-BORONIC ACID

  • EINECS
  • CAS No. 503184-35-8
  • Article Data4
  • CAS DataBase
  • Density 1.206 g/cm3
  • Solubility
  • Melting Point
  • Formula C7H10BNO3
  • Boiling Point 339.192 °C at 760 mmHg
  • Molecular Weight 166.972
  • Flash Point 158.938 °C
  • Transport Information
  • Appearance
  • Safety 26-39
  • Risk Codes 37/38-41
  • Molecular Structure Molecular Structure of 503184-35-8 (2-METHOXY-4-METHYL-PYRIDINE-5-BORONIC ACID)
  • Hazard Symbols Xi
  • Synonyms Boronicacid, (6-methoxy-4-methyl-3-pyridinyl)- (9CI);(6-methoxy-4-methyl-3-pyridyl)boronic acid;(6-methoxy-4-methylpyridin-3-yl)boronic acid;boronic acid, B-(6-methoxy-4-methyl-3-pyridinyl)-;
  • PSA 62.58000
  • LogP -0.92160

Boronic acid,B-(6-methoxy-4-methyl-3-pyridinyl)- Specification

The Boronic acid,B-(6-methoxy-4-methyl-3-pyridinyl)-, with the CAS registry number 503184-35-8, has the systematic name of (6-methoxy-4-methyl-3-pyridyl)boronic acid. It belongs to the product categories: Methoxy; Pyridine; Pyridines. And the molecular formula of the chemical is C7H10BNO3.

The characteristics of Boronic acid,B-(6-methoxy-4-methyl-3-pyridinyl)- are as followings: (1)ACD/LogP: 1.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.132; (4)ACD/LogD (pH 7.4): 0.23; (5)ACD/BCF (pH 5.5): 4.174; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 94.206; (8)ACD/KOC (pH 7.4): 11.79; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 62.58 Å2; (13)Index of Refraction: 1.52; (14)Molar Refractivity: 42.075 cm3; (15)Molar Volume: 138.454 cm3; (16)Polarizability: 16.68×10-24cm3; (17)Surface Tension: 47.851 dyne/cm; (18)Density: 1.206 g/cm3; (19)Flash Point: 158.938 °C; (20)Enthalpy of Vaporization: 61.492 kJ/mol; (21)Boiling Point: 339.192 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: B(c1cnc(cc1C)OC)(O)O
(2)InChI: InChI=1/C7H10BNO3/c1-5-3-7(12-2)9-4-6(5)8(10)11/h3-4,10-11H,1-2H3
(3)InChIKey: RLWTZURPSVMYGG-UHFFFAOYAI

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