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Benzene,1-(methylsulfinyl)-3-nitro-

  • Name Benzene,1-(methylsulfinyl)-3-nitro-
  • EINECSN/A
  • CAS No. 3272-42-2
  • Density1.43 g/cm3
  • PSAN/A
  • LogPN/A
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC7H7NO3S
  • Boiling Point363.3 °C at 760 mmHg
  • Molecular Weight185.203
  • Flash Point173.5 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 3272-42-2 (1-(methylsulfinyl)-3-nitrobenzene)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data39

Benzene,1-(methylsulfinyl)-3-nitro- Specification

The Benzene,1-(methylsulfinyl)-3-nitro- has CAS registry number 3272-42-2. This chemical's molecular formula is C7H7NO3S and molecular weight is 185.20. What's more, its systematic name is 1-(methylsulfinyl)-3-nitrobenzene.

Physical properties of Benzene,1-(methylsulfinyl)-3-nitro- are: (1)ACD/LogP: 0.23; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 82.1 Å2; (7)Index of Refraction: 1.636; (8)Molar Refractivity: 46.28 cm3; (9)Molar Volume: 129 cm3; (10)Polarizability: 18.34×10-24cm3; (11)Surface Tension: 70.3 dyne/cm; (12)Density: 1.43 g/cm3; (13)Flash Point: 173.5 °C; (14)Enthalpy of Vaporization: 58.54 kJ/mol; (15)Boiling Point: 363.3 °C at 760 mmHg; (16)Vapour Pressure: 3.81E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(c1cc([N+]([O-])=O)ccc1)C
(2)Std. InChI: InChI=1S/C7H7NO3S/c1-12(11)7-4-2-3-6(5-7)8(9)10/h2-5H,1H3
(3)Std. InChIKey: ARRRUECVLDIJAY-UHFFFAOYSA-N

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