Product Name

  • Name

    3-(N,N-DIMETHYLSULPHONAMIDO)BENZENEBORONIC ACID

  • EINECS
  • CAS No. 871329-59-8
  • Density 1.37 g/cm3
  • Solubility
  • Melting Point 88-92 °C
  • Formula C8H12BNO4S
  • Boiling Point 435.6 °C at 760 mmHg
  • Molecular Weight 229.065
  • Flash Point 217.2 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 871329-59-8 (3-(N,N-DIMETHYLSULPHONAMIDO)BENZENEBORONIC ACID)
  • Hazard Symbols IrritantXi
  • Synonyms Boronicacid, [3-[(dimethylamino)sulfonyl]phenyl]- (9CI);[3-(N,N-Dimethylaminosulfonyl)phenyl]boronic acid;[3-(N,N-Dimethylsulfamoyl)phenyl]boronic acid;[3-[(Dimethylamino)sulfonyl]phenyl]boronic acid;
  • PSA 86.22000
  • LogP -0.30250

Boronic acid,B-[3-[(dimethylamino)sulfonyl]phenyl]- Specification

The Boronic acid,B-[3-[(dimethylamino)sulfonyl]phenyl]- is an organic compound with the formula C8H12BNO4S. The systematic name of this chemical is [3-(dimethylsulfamoyl)phenyl]boronic acid. With the CAS registry number 871329-59-8, it is also named as 3-(N,N-Dimethylsulphonamido)benzeneboronic acid. The product's categories are Blocks; BoronicAcids; Sulfonamides.

Physical properties about Boronic acid,B-[3-[(dimethylamino)sulfonyl]phenyl]- are: (1)ACD/LogP: 0.72; (2)ACD/LogD (pH 5.5): 0.72; (3)ACD/LogD (pH 7.4): 0.45; (4)#H bond acceptors: 5; (5)#H bond donors: 2; (6)#Freely Rotating Bonds: 5; (7)Polar Surface Area: 86.22 Å2; (8)Index of Refraction: 1.579; (9)Molar Refractivity: 55.24 cm3; (10)Molar Volume: 166.1 cm3; (11)Polarizability: 21.9×10-24cm3; (12)Surface Tension: 56.8 dyne/cm; (13)Density: 1.37 g/cm3; (14)Flash Point: 217.2 °C; (15)Enthalpy of Vaporization: 72.93 kJ/mol; (16)Boiling Point: 435.6 °C at 760 mmHg; (17)Vapour Pressure: 2.33E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1cccc(c1)S(=O)(=O)N(C)C)(O)O
(2)InChI: InChI=1/C8H12BNO4S/c1-10(2)15(13,14)8-5-3-4-7(6-8)9(11)12/h3-6,11-12H,1-2H3
(3)InChIKey: SGERXKCDWJPIOS-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C8H12BNO4S/c1-10(2)15(13,14)8-5-3-4-7(6-8)9(11)12/h3-6,11-12H,1-2H3
(5)Std. InChIKey: SGERXKCDWJPIOS-UHFFFAOYSA-N

Related Products

Hot Products

Post buying leads

About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia

Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog

©2008 LookChem.com,License: ICP

NO.:Zhejiang16009103

complaints:service@lookchem.com Desktop View