Product Name

  • Name

    4-Methoxy-2,6-dimethylbenzenesulfonyl chloride

  • EINECS
  • CAS No. 55661-08-0
  • Article Data21
  • CAS DataBase
  • Density 1.285 g/cm3
  • Solubility
  • Melting Point
  • Formula C9H11ClO3S
  • Boiling Point 356.097 °C at 760 mmHg
  • Molecular Weight 234.704
  • Flash Point 169.162 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 55661-08-0 (4-Methoxy-2,6-dimethylbenzenesulfonyl chloride)
  • Hazard Symbols
  • Synonyms 2,6-Xylenesulfonylchloride, 4-methoxy- (7CI);2,6-Dimethyl-4-methoxybenzenesulfonyl chloride;2,6-Dimethyl-4-methoxyphenylsulfonyl chloride;4-Methoxy-2,6-dimethylbenzenesulfonyl chloride;
  • PSA 51.75000
  • LogP 3.32030

4-Methoxy-2,6-dimethylbenzenesulfonyl chloride Specification

The CAS register number of 4-Methoxy-2,6-dimethylbenzenesulfonyl chloride is 55661-08-0. It also can be called as Benzenesulfonylchloride, 4-methoxy-2,6-dimethyl- and the systematic name about this chemical is 4-methoxy-2,6-dimethylbenzenesulfonyl chloride. The molecular formula about this chemical is C9H11ClO3S and the molecular weight is 234.70.

Physical properties about 4-Methoxy-2,6-dimethylbenzenesulfonyl chloride are: (1)ACD/LogP: 2.25; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 236; (5)ACD/BCF (pH 7.4): 236; (6)ACD/KOC (pH 5.5): 1740; (7)ACD/KOC (pH 7.4): 1740; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 51.75Å2; (11)Index of Refraction: 1.525; (12)Molar Refractivity: 56.012 cm3; (13)Molar Volume: 182.642 cm3; (14)Polarizability: 22.205x10-24cm3; (15)Surface Tension: 39.319 dyne/cm; (16)Enthalpy of Vaporization: 57.761 kJ/mol; (17)Boiling Point: 356.097 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(OC)cc(C)c1S(Cl)(=O)=O
(2)InChI: InChI=1/C9H11ClO3S/c1-6-4-8(13-3)5-7(2)9(6)14(10,11)12/h4-5H,1-3H3
(3)InChIKey: FARJAHHRGCAAOY-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C9H11ClO3S/c1-6-4-8(13-3)5-7(2)9(6)14(10,11)12/h4-5H,1-3H3
(5)Std. InChIKey: FARJAHHRGCAAOY-UHFFFAOYSA-N

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