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1,2,4-Tribromo-5-methylbenzene

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  • Name 1,2,4-Tribromo-5-methylbenzene
  • EINECSN/A
  • CAS No. 3278-88-4
  • Density2.131 g/cm3
  • PSA0.00000
  • LogP4.28250
  • SolubilityN/A
  • Melting Point112-114 °C
  • FormulaC7H5Br3
  • Boiling Point299.3 °C at 760 mmHg
  • Molecular Weight328.829
  • Flash Point132.5 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesR40; R36/37/38
  • Molecular Structure
    Molecular Structure of 3278-88-4 (2,4,5-TRIBROMOTOLUENE)
  • Hazard SymbolsXn,T,Xi
  • SynonymsXn,T,Xi

1,2,4-Tribromo-5-methylbenzene Specification

The Benzene,1,2,4-tribromo-5-methyl-, with the CAS registry number 3278-88-4, is also known as 2,4,5-Tribromotoluene. This chemical's molecular formula is C7H5Br3 and molecular weight is 328.83. What's more, its systematic name is 1,2,4-tribromo-5-methylbenzene. It is stable at common pressure and temperature, and it should be sealed and stored in a cool, ventilated and dry place. What's more, it should be protected from light.

Physical properties of Benzene,1,2,4-tribromo-5-methyl- are: (1)ACD/LogP: 4.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.84; (4)ACD/BCF (pH 5.5): 2812.52; (5)ACD/KOC (pH 5.5): 10243.72; (6)Index of Refraction: 1.619; (7)Molar Refractivity: 54.14 cm3; (8)Molar Volume: 154.2 cm3; (9)Polarizability: 21.46×10-24cm3; (10)Surface Tension: 43.6 dyne/cm; (11)Density: 2.131 g/cm3; (12)Flash Point: 132.5 °C; (13)Enthalpy of Vaporization: 51.77 kJ/mol; (14)Boiling Point: 299.3 °C at 760 mmHg; (15)Vapour Pressure: 0.00214 mmHg at 25°C.

Preparation: this chemical can be prepared by methylbenzene at the temperature of 20 °C. This reaction will need reagents NO2, Br2 and solvents trifluoroacetic acid, H2O with the reaction time of 0.1 hour. The yield is about 90%.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(c(Br)cc1Br)C
(2)InChI: InChI=1S/C7H5Br3/c1-4-2-6(9)7(10)3-5(4)8/h2-3H,1H3
(3)InChIKey: KZZJNNUPNNBCCH-UHFFFAOYSA-N

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