Product Name

  • Name

    4-(2-Bromoacetyl)benzenesulfonyl chloride

  • EINECS
  • CAS No. 5038-59-5
  • Article Data2
  • CAS DataBase
  • Density 1.742 g/cm3
  • Solubility
  • Melting Point
  • Formula C8H6BrClO3S
  • Boiling Point 383.8 °C at 760 mmHg
  • Molecular Weight 297.557
  • Flash Point 185.9 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 5038-59-5 (4-(2-Bromoacetyl)benzenesulfonyl chloride)
  • Hazard Symbols
  • Synonyms 4-(2-Bromo-acetyl)-benzenesulfonyl chloride;Benzenesulfonyl chloride, 4-(2-bromoacetyl)-;
  • PSA 59.59000
  • LogP 3.27250

4-(2-Bromoacetyl)benzenesulfonyl chloride Specification

The 4-(2-Bromoacetyl)benzenesulfonyl chloride, with the CAS registry number 5038-59-5, is also known as 4-(Bromoacetyl)benzenesulfonyl chloride. This chemical's molecular formula is C8H6BrClO3S and molecular weight is 297.55. What's more, its IUPAC name is called 4-(2-Bromoacetyl)benzenesulfonyl chloride.

Physical properties about 4-(2-Bromoacetyl)benzenesulfonyl chloride are: (1)ACD/LogP: 2.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.41; (4)ACD/LogD (pH 7.4): 2.41; (5)ACD/BCF (pH 5.5): 40.04; (6)ACD/BCF (pH 7.4): 40.04; (7)ACD/KOC (pH 5.5): 488.27; (8)ACD/KOC (pH 7.4): 488.27; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 59.59 Å2; (13)Index of Refraction: 1.588; (14)Molar Refractivity: 57.5 cm3; (15)Molar Volume: 170.8 cm3; (16)Surface Tension: 51.9 dyne/cm; (17)Density: 1.742 g/cm3; (18)Flash Point: 185.9 °C; (19)Enthalpy of Vaporization: 63.24 kJ/mol; (20)Boiling Point: 383.8 °C at 760 mmHg; (21)Vapour Pressure: 4.29E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(Cl)(=O)c1ccc(C(=O)CBr)cc1
(2) InChI: InChI=1/C8H6BrClO3S/c9-5-8(11)6-1-3-7(4-2-6)14(10,12)13/h1-4H,5H2
(3) InChIKey: YSZVEXHEBFFCSK-UHFFFAOYAU

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