Product Name

  • Name

    Benzenesulfonyl chloride, 4-hydroxy-3-nitro- (9CI)

  • EINECS
  • CAS No. 147682-51-7
  • Article Data4
  • CAS DataBase
  • Density 1.742g/cm3
  • Solubility
  • Melting Point
  • Formula C6H4ClNO5S
  • Boiling Point 354.7°Cat760mmHg
  • Molecular Weight 237.62
  • Flash Point 168.3°C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 147682-51-7 (Benzenesulfonyl chloride, 4-hydroxy-3-nitro- (9CI))
  • Hazard Symbols
  • Synonyms Benzenesulfonyl chloride, 4-hydroxy-3-nitro- (9CI);H90106;Benzenesulfonylchloride, 4-hydroxy-3-nitro-;4-hydroxy-3-nitrobenzene-1-sulfonyl chloride
  • PSA 108.57000
  • LogP 2.83190

4-Hydroxy-3-nitrobenzenesulfonyl chloride Specification

The 4-Hydroxy-3-nitrobenzenesulfonyl chloride , with cas registry number of 147682-51-7, belongs to the categories of Sulfonylhalide. Both its IUPAC name and systematic name are the same which is called 4-Hydroxy-3-nitrobenzenesulfonyl chloride . It decomposes very exothermically at 24°C. Upon decomposition it emits toxic fumes of Cl , SOx, and NOx.

Physical properties of 4-Hydroxy-3-nitrobenzenesulfonyl chloride are: (1) ACD/LogP: 2.44 ; (2) # of Rule of 5 Violations: 0 ; (3) #H bond acceptors: 6 ; (4) #H bond donors: 1 ; (5) #Freely Rotating Bonds: 3 ; (6) Index of Refraction: 1.621 ; (7) Molar Refractivity: 47.96 cm3 ; (8) Molar Volume: 136.3 cm3 ; (9) Surface Tension: 70 dyne/cm ; (10) Density: 1.742 g/cm3 ; (11) Flash Point: 168.3 °C ; (12) Enthalpy of Vaporization: 62.34 kJ/mol ; (13) Boiling Point: 354.7 °C at 760 mmHg ; (14) Vapour Pressure: 1.61E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1) SMILES:O=[N+]([O-])c1cc(ccc1O)S(Cl)(=O)=O;
(2) InChI:InChI=1/C6H4ClNO5S/c7-14(12,13)4-1-2-6(9)5(3-4)8(10)11/h1-3,9H;
(3) InChIKey:FRIDVSSBTNZNJD-UHFFFAOYAS

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