Product Name

  • Name

    Benzenesulfonamide, 4-(1-methylethyl)- (9CI)

  • EINECS
  • CAS No. 6335-39-3
  • Article Data6
  • CAS DataBase
  • Density 1.182 g/cm3
  • Solubility
  • Melting Point 103-106℃
  • Formula C9H13NO2S
  • Boiling Point 328.3 °C at 760 mmHg
  • Molecular Weight 199.274
  • Flash Point 152.4 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 6335-39-3 (Benzenesulfonamide, 4-(1-methylethyl)- (9CI))
  • Hazard Symbols
  • Synonyms 4-propan-2-ylbenzenesulfonamide;Benzenesulfonamide, 4-(1-methylethyl)- (9CI);4-(1-Methylethyl)benzenesulfonamide;
  • PSA 68.54000
  • LogP 3.23850

p-Cumenesulfonamide Specification

The CAS register number of p-Cumenesulfonamide is 6335-39-3. It also can be called as 4-(1-Methylethyl)benzenesulfonamide and the systematic name about this chemical is 4-(propan-2-yl)benzenesulfonamide. The molecular formula about this chemical is C9H13NO2S and the molecular weight is 199.27002. It belongs to the following product categorie which include Sulfonamide.

Physical properties about p-Cumenesulfonamide are: (1)ACD/LogP: 1.67; (2)ACD/LogD (pH 5.5): 1.66; (3)ACD/LogD (pH 7.4): 1.66; (4)ACD/BCF (pH 5.5): 10.84; (5)ACD/BCF (pH 7.4): 10.83; (6)ACD/KOC (pH 5.5): 191.69; (7)ACD/KOC (pH 7.4): 191.39; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 45.76 Å2; (12)Index of Refraction: 1.542; (13)Molar Refractivity: 53.05 cm3; (14)Molar Volume: 168.4 cm3; (15)Polarizability: 21.03x10-24cm3; (16)Surface Tension: 42.2 dyne/cm; (17)Density: 1.182 g/cm3; (18)Flash Point: 152.4 °C; (19)Enthalpy of Vaporization: 57.07 kJ/mol; (20)Boiling Point: 328.3 °C at 760 mmHg; (21)Vapour Pressure: 0.000191 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccc(cc1)C(C)C)N
(2)InChI: InChI=1/C9H13NO2S/c1-7(2)8-3-5-9(6-4-8)13(10,11)12/h3-7H,1-2H3,(H2,10,11,12)
(3)InChIKey: WVOWEROKBOQYLJ-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C9H13NO2S/c1-7(2)8-3-5-9(6-4-8)13(10,11)12/h3-7H,1-2H3,(H2,10,11,12)
(5)Std. InChIKey: WVOWEROKBOQYLJ-UHFFFAOYSA-N

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