Product Name

  • Name

    (ethoxysulfanyl)benzene

  • EINECS
  • CAS No. 54815-45-1
  • Article Data4
  • CAS DataBase
  • Density 1.07 g/cm3
  • Solubility
  • Melting Point
  • Formula C8H10OS
  • Boiling Point 212.2 °C at 760 mmHg
  • Molecular Weight 154.233
  • Flash Point 82.1 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 54815-45-1 ((ethoxysulfanyl)benzene)
  • Hazard Symbols
  • Synonyms Ethylbenzenesulfenate;Ethyl phenylsulfenate;NSC 244348;
  • PSA
  • LogP

Benzenesulfenic acid,ethyl ester Specification

The CAS registry number of Benzenesulfenic acid,ethyl ester is 54815-45-1. This chemical is also named as Ethyl phenylsulfenate. In addition, its molecular formula is C8H10OS and molecular weight is 154.2294. Its systematic name and IUPAC name are the same which is called ethoxysulfanylbenzene.

Physical properties about this chemical are: (1)ACD/LogP: 3.60; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Index of Refraction: 1.551; (7)Molar Refractivity: 45.76 cm3; (8)Molar Volume: 143.2 cm3; (9)Surface Tension: 38.3 dyne/cm; (10)Density: 1.07 g/cm3; (11)Flash Point: 82.1 °C; (12)Enthalpy of Vaporization: 43.02 kJ/mol; (13)Boiling Point: 212.2 °C at 760 mmHg; (14)Vapour Pressure: 0.255 mmHg at 25°C.

Preparation: this chemical can be prepared by benzenesulfenyl chloride and aethoxy-tributyl-stannan. The reaction time is 1 hour. The yield is about 77 %.

Benzenesulfenic acid,ethyl ester can be prepared by benzenesulfenyl chloride and aethoxy-tributyl-stannan

Uses of Benzenesulfenic acid,ethyl ester: it can be used to produce phenyl (b-ethoxy-b-phenylethyl)sulphide at ambient temperature. It will need reagent pyridine-SO3 and solvent CH2Cl2 with reaction time of 2 hours. The yield is about 55 %.

Benzenesulfenic acid,ethyl ester can be used to produce phenyl (b-ethoxy-b-phenylethyl)sulphide

You can still convert the following datas into molecular structure:
(1)SMILES: O(Sc1ccccc1)CC
(2)InChI: InChI=1/C8H10OS/c1-2-9-10-8-6-4-3-5-7-8/h3-7H,2H2,1H3
(3)InChIKey: XYYJMADPFXZNGP-UHFFFAOYAU

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