Product Name

  • Name

    1-ISOPROPYL-1H-PYRAZOLE-4-BORONIC ACID, PINACOL ESTER

  • EINECS
  • CAS No. 1071496-88-2
  • Article Data2
  • CAS DataBase
  • Density 1.037 g/cm3
  • Solubility
  • Melting Point
  • Formula C12H21BN2O2
  • Boiling Point 327.26 °C at 760 mmHg
  • Molecular Weight 236.122
  • Flash Point 151.722 °C
  • Transport Information
  • Appearance
  • Safety 26-37
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 1071496-88-2 (1-ISOPROPYL-1H-PYRAZOLE-4-BORONIC ACID, PINACOL ESTER)
  • Hazard Symbols Xi
  • Synonyms 1-Isopropylpyrazole-4-boronic acid, pinacol ester;1-(1-methylethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-Pyrazole;
  • PSA 36.28000
  • LogP 1.76320

1-Isopropyl-1H-pyrazole-4-boronic acid pinacolester Specification

The CAS register number of 1-Isopropyl-1H-pyrazole-4-boronic acid pinacolester is 1071496-88-2. It also can be called as 1H-pyrazole, 1-(1-methylethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- and the systematic name about this chemical is 1-isopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole. The molecular formula about this chemical is C12H21BN2O2 and the molecular weight is 236.1183.

Physical properties about 1-Isopropyl-1H-pyrazole-4-boronic acid pinacolester are: (1)#H bond acceptors: 4; (2)#Freely Rotating Bonds: 2; (3)Polar Surface Area: 36.28 Å2; (4)Index of Refraction: 1.503; (5)Molar Refractivity: 67.326 cm3; (6)Molar Volume: 227.763 cm3; (7)Polarizability: 26.69x10-24cm3; (8)Surface Tension: 30.985 dyne/cm; (9)Enthalpy of Vaporization: 54.692 kJ/mol; (10)Boiling Point: 327.26 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: B1(OC(C(O1)(C)C)(C)C)c2ccn(n2)C(C)C
(2)InChI: InChI=1/C12H21BN2O2/c1-9(2)15-8-7-10(14-15)13-16-11(3,4)12(5,6)17-13/h7-9H,1-6H3
(3)InChIKey: LWGNAJWTBRYFJZ-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C12H21BN2O2/c1-9(2)15-8-7-10(14-15)13-16-11(3,4)12(5,6)17-13/h7-9H,1-6H3
(5)Std. InChIKey: LWGNAJWTBRYFJZ-UHFFFAOYSA-N

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