Product Name

  • Name

    2-(N,N-DIMETHYLAMINOCARBONYL)BENZENEBORONIC ACID

  • EINECS
  • CAS No. 874219-16-6
  • Density 1.2 g/cm3
  • Solubility
  • Melting Point 108-110 °C
  • Formula C9H12BNO3
  • Boiling Point 417.8 °C at 760 mmHg
  • Molecular Weight 193.01
  • Flash Point 206.5 °C
  • Transport Information
  • Appearance
  • Safety 26
  • Risk Codes 36
  • Molecular Structure Molecular Structure of 874219-16-6 (2-(N,N-DIMETHYLAMINOCARBONYL)BENZENEBORONIC ACID)
  • Hazard Symbols IrritantXi
  • Synonyms Boronicacid, [2-[(dimethylamino)carbonyl]phenyl]- (9CI);
  • PSA 60.77000
  • LogP -0.93180

Boronic acid,B-[2-[(dimethylamino)carbonyl]phenyl]- Specification

The Boronic acid,B-[2-[(dimethylamino)carbonyl]phenyl]- is an organic compound with the formula C9H12BNO3. The systematic name of this chemical is [2-(dimethylcarbamoyl)phenyl]boronic acid. With the CAS registry number 874219-16-6, the product's categories are Blocks; BoronicAcids.

Physical properties about Boronic acid,B-[2-[(dimethylamino)carbonyl]phenyl]- are: (1)#H bond acceptors: 4; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 60.77 Å2; (5)Index of Refraction: 1.553; (6)Molar Refractivity: 51.17 cm3; (7)Molar Volume: 159.8 cm3; (8)Polarizability: 20.28×10-24cm3; (9)Surface Tension: 48.3 dyne/cm; (10)Density: 1.2 g/cm3; (11)Flash Point: 206.5 °C; (12)Enthalpy of Vaporization: 70.76 kJ/mol; (13)Boiling Point: 417.8 °C at 760 mmHg; (14)Vapour Pressure: 1E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccccc1C(=O)N(C)C)(O)O
(2)InChI: InChI=1/C9H12BNO3/c1-11(2)9(12)7-5-3-4-6-8(7)10(13)14/h3-6,13-14H,1-2H3
(3)InChIKey: NZIOVLXULSCCSG-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C9H12BNO3/c1-11(2)9(12)7-5-3-4-6-8(7)10(13)14/h3-6,13-14H,1-2H3
(5)Std. InChIKey: NZIOVLXULSCCSG-UHFFFAOYSA-N

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