Product Name

  • Name

    (1,2-dibromo-2-nitroethyl)benzene

  • EINECS
  • CAS No. 3425-99-8
  • Article Data9
  • CAS DataBase
  • Density 1.901 g/cm3
  • Solubility
  • Melting Point
  • Formula C8H7Br2NO2
  • Boiling Point 298 °C at 760 mmHg
  • Molecular Weight 308.957
  • Flash Point 134.1 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 3425-99-8 ((1,2-dibromo-2-nitroethyl)benzene)
  • Hazard Symbols
  • Synonyms (1,2-Dibromo-2-nitroethyl)benzene;1,2-Dibromo-2-nitro-1-phenylethane;1-Phenyl-1,2-dibromo-2-nitroethane;NSC16246;
  • PSA
  • LogP

Benzene,(1,2-dibromo-2-nitroethyl)- Specification

The Benzene,(1,2-dibromo-2-nitroethyl)-, with the CAS registry number 3425-99-8, is also known as 1-Phenyl-1,2-dibromo-2-nitroethane. This chemical's molecular formula is C8H7Br2NO2 and molecular weight is 308.95. What's more, its systematic name is (1,2-dibromo-2-nitroethyl)benzene.

Physical properties of Benzene,(1,2-dibromo-2-nitroethyl)- are: (1)ACD/LogP: 4.31; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 45.82 Å2; (7)Index of Refraction: 1.622; (8)Molar Refractivity: 57.24 cm3; (9)Molar Volume: 162.5 cm3; (10)Polarizability: 22.69×10-24cm3; (11)Surface Tension: 55 dyne/cm; (12)Density: 1.901 g/cm3; (13)Flash Point: 134.1 °C; (14)Enthalpy of Vaporization: 53.79 kJ/mol; (15)Boiling Point: 298 °C at 760 mmHg; (16)Vapour Pressure: 0.0013 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: BrC([N+]([O-])=O)C(Br)c1ccccc1
(2)InChI: InChI=1S/C8H7Br2NO2/c9-7(8(10)11(12)13)6-4-2-1-3-5-6/h1-5,7-8H
(3)InChIKey: DNKILUKMZPEIEV-UHFFFAOYSA-N

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