Product Name

  • Name

    1-(4-BROMOPHENYLSULFONYL)AZETIDINE

  • EINECS
  • CAS No. 530081-57-3
  • Article Data3
  • CAS DataBase
  • Density 1.668 g/cm3
  • Solubility
  • Melting Point 118-120 °C
  • Formula C9H10BrNO2S
  • Boiling Point 369.6 °C at 760 mmHg
  • Molecular Weight 276.154
  • Flash Point 177.3 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 530081-57-3 (1-(4-BROMOPHENYLSULFONYL)AZETIDINE)
  • Hazard Symbols IrritantXi
  • Synonyms 1-(4-BROMOPHENYLSULFONYL)AZETIDINE;[1-(4-BROMOPHENYLSULPHONYL)]AZETIDINE;1-[(4-Bromophenyl)sulphonyl]azetidine 96%;1-[(4-Bromophenyl)sulphonyl]azetane, 1-[(Azetidin-1-yl)sulphonyl]-4-bromobenzene, Azetidin-1-yl 4-bromophenyl sulphone
  • PSA 45.76000
  • LogP 2.86220

Azetidine, 1-[(4-bromophenyl)sulfonyl]- Specification

The CAS registry number of Azetidine, 1-[(4-bromophenyl)sulfonyl]- is 530081-57-3. It belongs to the product categories of Blocks; Bromides; Sulfonamides. This chemical's molecular formula is C9H10BrNO2S and molecular weight is 276.1502. What's more, both its IUPAC name and systematic name are the same which is called 1-[(4-Bromophenyl)sulfonyl]azetidine. When you are dealing with this chemical, you should be very careful. This chemical is irritating to the skin or other mucous membranes.

Physical properties about Azetidine, 1-[(4-bromophenyl)sulfonyl]- are: (1)ACD/LogP: 2.26; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 45.76 Å2; (7)Index of Refraction: 1.631; (8)Molar Refractivity: 59.02 cm3; (9)Molar Volume: 165.4 cm3; (10)Surface Tension: 55.3 dyne/cm; (11)Density: 1.668 g/cm3; (12)Flash Point: 177.3 °C; (13)Enthalpy of Vaporization: 61.64 kJ/mol; (14)Boiling Point: 369.6 °C at 760 mmHg; (15)Vapour Pressure: 1.17E-05 mmHg at 25 °C; (16)Melting Point: 118-120 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(c1ccc(Br)cc1)N2CCC2
(2) InChI: InChI=1/C9H10BrNO2S/c10-8-2-4-9(5-3-8)14(12,13)11-6-1-7-11/h2-5H,1,6-7H2
(3) InChIKey: MDIDQNAFUFFXTB-UHFFFAOYAC

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