Product Name

  • Name

    4-(N-ETHYLSULPHONAMIDO)BENZENEBORONIC ACID

  • EINECS
  • CAS No. 871329-65-6
  • Article Data2
  • CAS DataBase
  • Density 1.36 g/cm3
  • Solubility
  • Melting Point 132-136°C
  • Formula C8H12BNO4S
  • Boiling Point 424.9 °C at 760 mmHg
  • Molecular Weight 229.065
  • Flash Point 210.8 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 871329-65-6 (4-(N-ETHYLSULPHONAMIDO)BENZENEBORONIC ACID)
  • Hazard Symbols IrritantXi
  • Synonyms Boronic acid, [4-[(ethylamino)sulfonyl]phenyl]- (9CI);[4-(Ethylsulfamoyl)phenyl]boronic acid;
  • PSA 95.01000
  • LogP 0.13630

Boronic acid,B-[4-[(ethylamino)sulfonyl]phenyl]- Specification

The Boronic acid, B-[4-[(ethylamino)sulfonyl]phenyl]-, with the CAS registry number of 871329-65-6, is also known as 4-N-Ethylsulfamoylphenylboronic acid and 4-(N-Ethylsulphonamido)benzeneboronic acid. It belongs to the product categories of Blocks; BoronicAcids; Sulfonamides. This chemical's molecular formula is C8H12BNO4S and molecular weight is 229.06. What's more, its systematic name is called [4-(Ethylsulfamoyl)phenyl]boronic acid.

Physical properties about Boronic acid, B-[4-[(ethylamino)sulfonyl]phenyl]- are: (1)ACD/LogP: 0.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.87; (4)ACD/LogD (pH 7.4): 0.78; (5)#H bond acceptors: 5; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 5; (8)Polar Surface Area: 95.01 Å2; (9)Index of Refraction: 1.571; (10)Molar Refractivity: 55.01 cm3; (11)Molar Volume: 167.2 cm3; (12)Polarizability: 21.8×10-24 cm3; (13)Surface Tension: 56.1 dyne/cm; (14)Density: 1.36 g/cm3; (15)Flash Point: 210.8 °C; (16)Enthalpy of Vaporization: 71.63 kJ/mol; (17)Boiling Point: 424.9 °C at 760 mmHg; (18)Melting Point: 132-136°C; (19)Vapour Pressure: 5.61E-08 mmHg at 25°C.

When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.

You can still convert the following datas into molecular structure:
(1) SMILES: B(c1ccc(cc1)S(=O)(=O)NCC)(O)O
(2) InChI: InChI=1/C8H12BNO4S/c1-2-10-15(13,14)8-5-3-7(4-6-8)9(11)12/h3-6,10-12H,2H2,1H3
(3) InChIKey: YVKVLCDUDPTJEW-UHFFFAOYAL

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