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2,4,6-Tribromotoluene

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Name

2,4,6-Tribromotoluene

EINECS 228-672-2
CAS No. 6320-40-7 Density 2,479 g/cm3
PSA 0.00000 LogP 4.28250
Solubility Insoluble in water. Melting Point 68-71 °C(lit.)
Formula C7H5Br3 Boiling Point 290.7 °C at 760 mmHg
Molecular Weight 328.829 Flash Point 127.6 °C
Transport Information N/A Appearance Yellow powder
Safety 26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 6320-40-7 (2,4,6-Tribromotoluene) Hazard Symbols IrritantXi
Synonyms

Toluene,2,4,6-tribromo- (6CI);2,4,6-Tribromotoluene;NSC 31887;

Article Data 9

2,4,6-Tribromotoluene Specification

The 2,4,6-Tribromotoluene, with the CAS registry number 6320-40-7, is also known as 2,4,6-Tribromotoluene 98%. It belongs to the product categories of Aromatic Hydrocarbons (substituted) & Derivatives. Its EINECS registry number is 228-672-2. This chemical's molecular formula is C7H5Br3 and molecular weight is 328.83. Its IUPAC name is called 1,3,5-tribromo-2-methylbenzene. This chemical is yellow powder.

Physical properties of 2,4,6-Tribromotoluene: (1)ACD/LogP: 4.85; (2)ACD/LogD (pH 5.5): 4.85; (3)ACD/LogD (pH 7.4): 4.85; (4)ACD/BCF (pH 5.5): 2875.61; (5)ACD/BCF (pH 7.4): 2875.61; (6)ACD/KOC (pH 5.5): 10407.68; (7)ACD/KOC (pH 7.4): 10407.68; (8)Index of Refraction: 1.619; (9)Molar Refractivity: 54.14 cm3; (10)Molar Volume: 154.2 cm3; (11)Surface Tension: 43.6 dyne/cm; (12)Density: 2.131 g/cm3; (13)Flash Point: 127.6 °C; (14)Enthalpy of Vaporization: 50.88 kJ/mol; (15)Boiling Point: 290.7 °C at 760 mmHg; (16)Vapour Pressure: 0.00356 mmHg at 25°C.

Preparation: this chemical can be prepared by 3-Methyl-2,4,6-tribromobenzenediazonium tetrafluoroborate. This reaction will need reagent DMF, FeSO4*7H2O and solvent H2O. The yield is about 96%.

Uses of 2,4,6-Tribromotoluene: it can be used to produce 2,4,6-tribromo-benzyl bromide at temperature of 200 - 220 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C=C(C=C1Br)Br)Br
(2)InChI: InChI=1S/C7H5Br3/c1-4-6(9)2-5(8)3-7(4)10/h2-3H,1H3
(3)InChIKey: BFRIZWKDNUHPHL-UHFFFAOYSA-N

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