-
Name
2,4,5-TRIBROMOTOLUENE
- EINECS
- CAS No. 3278-88-4
- Density 2.131 g/cm3
- Solubility
- Melting Point 112-114 °C
- Formula C7H5Br3
- Boiling Point 299.3 °C at 760 mmHg
- Molecular Weight 328.829
- Flash Point 132.5 °C
- Transport Information
- Appearance
- Safety
- Risk Codes R40; R36/37/38
-
Molecular Structure
-
Hazard Symbols
Xn,
T,
Xi
- Synonyms Toluene,2,4,5-tribromo- (6CI,7CI,8CI);2,4,5-Tribromotoluene;1,2,4-Tribromo-5-methylbenzene;
- PSA 0.00000
- LogP 4.28250
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%.
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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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