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1,3-Benzodioxole,5,6-dichloro-

  • Name 1,3-Benzodioxole,5,6-dichloro-
  • EINECSN/A
  • CAS No. 6120-31-6
  • Density1.534 g/cm3
  • PSA18.46000
  • LogP2.72210
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC7H4Cl2O2
  • Boiling Point262.1 °C at 760 mmHg
  • Molecular Weight191.01
  • Flash Point112.5 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 6120-31-6 (5,6-DICHLOROBENZO(1,3)DIOXOLE)
  • Hazard SymbolsIrritantXi
  • SynonymsIrritantXi
  • Article Data2

1,3-Benzodioxole,5,6-dichloro- Specification

The 1,3-Benzodioxole,5,6-dichloro-, with the CAS registry number 6120-31-6, is also known as 4,5-Dichloro-1,2-methylenedioxybenzene. This chemical's molecular formula is C7H4Cl2O2 and molecular weight is 191.01. What's more, its systematic name is 5,6-Dichloro-1,3-benzodioxole.

Physical properties of 1,3-Benzodioxole,5,6-dichloro- are: (1)ACD/LogP: 3.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.41; (4)ACD/LogD (pH 7.4): 3.41; (5)ACD/BCF (pH 5.5): 230.33; (6)ACD/BCF (pH 7.4): 230.33; (7)ACD/KOC (pH 5.5): 1708.32; (8)ACD/KOC (pH 7.4): 1708.32; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.593; (14)Molar Refractivity: 42.2 cm3; (15)Molar Volume: 124.5 cm3; (16)Polarizability: 16.73×10-24 cm3; (17)Surface Tension: 52 dyne/cm; (18)Density: 1.534 g/cm3; (19)Flash Point: 112.5 °C; (20)Enthalpy of Vaporization: 47.97 kJ/mol; (21)Boiling Point: 262.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0181 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc2OCOc2cc1Cl
(2)InChI: InChI=1S/C7H4Cl2O2/c8-4-1-6-7(2-5(4)9)11-3-10-6/h1-2H,3H2
(3)InChIKey: DVMBKYXRFLTGEH-UHFFFAOYSA-N

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