Product Name

  • Name

    4-(2-Chloroethylsulfonyl)butanoic acid

  • EINECS
  • CAS No. 75055-25-3
  • Density 1.388 g/cm3
  • Solubility
  • Melting Point 98 °C
  • Formula C6H11ClO4S
  • Boiling Point 462.8 °C at 760 mmHg
  • Molecular Weight 214.67
  • Flash Point 233.7 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 75055-25-3 (4-(2-Chloroethylsulfonyl)butanoic acid)
  • Hazard Symbols
  • Synonyms 4-(2-Chloroethylsulfonyl)butanoic acid;
  • PSA 79.82000
  • LogP 1.58400

4-(2-Chloroethylsulfonyl)butanoic acid Specification

The 4-(2-Chloroethylsulfonyl)butanoic acid with its cas register number is 75055-25-3. It also can be called as Butanoic acid,3-[(2-chloroethyl)sulfonyl]- and the Systematic name about this chemical is 4-[(2-chloroethyl)sulfonyl]butanoic acid.

Physical properties about 4-(2-Chloroethylsulfonyl)butanoic acid are: (1)ACD/BCF (pH 5.5): 1 (2)ACD/BCF (pH 7.4): 1 (3)ACD/KOC (pH 5.5): 1.28 (4)ACD/KOC (pH 7.4): 1 (5)#H bond acceptors: 4 (6)#H bond donors: 1 (7)#Freely Rotating Bonds: 6 (8)Polar Surface Area: 79.82Å2 (9)Index of Refraction: 1.495 (10)Molar Refractivity: 45.12 cm3 (11)Molar Volume: 154.6 cm3 (12)Polarizability: 17.88x10-24cm3 (13)Surface Tension: 51.5 dyne/cm; (14)Enthalpy of Vaporization: 79.32 kJ/mol (15)Vapour Pressure: 7.56E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCCS(=O)(=O)CCCC(O)=O
(2)InChI: InChI=1/C6H11ClO4S/c7-3-5-12(10,11)4-1-2-6(8)9/h1-5H2,(H,8,9)
(3)InChIKey: XOPHFHGOBYWODX-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C6H11ClO4S/c7-3-5-12(10,11)4-1-2-6(8)9/h1-5H2,(H,8,9)
(5)Std. InChIKey: XOPHFHGOBYWODX-UHFFFAOYSA-N

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