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Benzene,1-(bromomethyl)-2,5-dichloro-3-nitro-

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  • Name Benzene,1-(bromomethyl)-2,5-dichloro-3-nitro-
  • EINECSN/A
  • CAS No. 1009349-32-9
  • Density1.842 g/cm3
  • PSA45.82000
  • LogP4.31970
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC7H4BrCl2NO2
  • Boiling Point346 °C at 760 mmHg
  • Molecular Weight284.92
  • Flash Point163 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 1009349-32-9 (1-(BROMOMETHYL)-2,5-DICHLORO-3-NITROBENZENE)
  • Hazard SymbolsN/A
  • SynonymsN/A

Benzene,1-(bromomethyl)-2,5-dichloro-3-nitro- Specification

The Benzene,1-(bromomethyl)-2,5-dichloro-3-nitro- has CAS registry number 1009349-32-9. This chemical's molecular formula is C7H4BrCl2NO2 and molecular weight is 284.92. What's more, its systematic name is 1-(bromomethyl)-2,5-dichloro-3-nitro-benzene.

Physical properties of Benzene,1-(bromomethyl)-2,5-dichloro-3-nitro- are: (1)ACD/LogP: 3.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.65; (4)ACD/LogD (pH 7.4): 3.65; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 45.82 Å2; (9)Index of Refraction: 1.632; (10)Molar Refractivity: 55.23 cm3; (11)Molar Volume: 154.6 cm3; (12)Polarizability: 21.89×10-24cm3; (13)Surface Tension: 56.1 dyne/cm; (14)Density: 1.842 g/cm3; (15)Flash Point: 163 °C; (16)Enthalpy of Vaporization: 56.68 kJ/mol; (17)Boiling Point: 346 °C at 760 mmHg; (18)Vapour Pressure: 0.000119 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c(cc(c(c1CBr)Cl)[N+](=O)[O-])Cl
(2)Std. InChI: InChI=1S/C7H4BrCl2NO2/c8-3-4-1-5(9)2-6(7(4)10)11(12)13/h1-2H,3H2
(3)Std. InChIKey: XPFMDGKKMHNURO-UHFFFAOYSA-N

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