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CAS No.: | 5456-94-0 |
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Name: | 2,4-DIBROMO-5-METHOXYTOLUENE |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C8H8Br2O |
Molecular Weight: | 279.959 |
Synonyms: | 2,4-Dibromo-5-methylanisole;2,4-Dibromo-5-methylphenyl methyl ether; |
Density: | 1.727 g/cm3 |
Melting Point: | 74-76 °C |
Boiling Point: | 285.9 °C at 760 mmHg |
Flash Point: | 114.2 °C |
PSA: | 9.23000 |
LogP: | 3.52860 |
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The Benzene,1,5-dibromo-2-methoxy-4-methyl-, with the CAS registry number 5456-94-0, is also known as 2,4-Dibromo-5-methylanisole and 2,4-Dibromo-5-methylphenyl methyl ether. It belongs to the product categories of Blocks; Bromides. This chemical's molecular formula is C8H8Br2O and molecular weight is 279.96.
Physical properties about this chemical are: (1)ACD/LogP: 4.15; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.15; (4)ACD/LogD (pH 7.4): 4.15; (5)ACD/BCF (pH 5.5): 840.23; (6)ACD/BCF (pH 7.4): 840.23; (7)ACD/KOC (pH 5.5): 4314.04; (8)ACD/KOC (pH 7.4): 4314.04; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.569; (14)Molar Refractivity: 53.13 cm3; (15)Molar Volume: 162 cm3; (16)Surface Tension: 38 dyne/cm; (17)Density: 1.727 g/cm3; (18)Flash Point: 114.2 °C; (19)Enthalpy of Vaporization: 50.39 kJ/mol; (20)Boiling Point: 285.9 °C at 760 mmHg; (21)Vapour Pressure: 0.00468 mmHg at 25 °C; (22)Melting Point: 74-76 °C.
Uses of Benzene,1,5-dibromo-2-methoxy-4-methyl-: it is used to produce other chemicals. For example, it is used to produce 1,5-Dibromo-2-bromomethyl-4-methoxy-benzene.
The reaction occurs with reagent NBS, Azobis and other condition of heating for 2 hours. The yield is 68%.
You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cc(Br)c(cc1OC)C
(2) InChI: InChI=1/C8H8Br2O/c1-5-3-8(11-2)7(10)4-6(5)9/h3-4H,1-2H3
(3) InChIKey: CDLNHQVKSMDSAI-UHFFFAOYAF