Name: 2,6-DIBROMO-4-METHOXYTOLUENE, 98+%
SKU: 14542-71-3

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Basic Information

Molecular Structure:
CAS No.:	14542-71-3
Name:	2,6-DIBROMO-4-METHOXYTOLUENE, 98+%

Formula:	C₈H₈Br₂O
Molecular Weight:	279.959
Synonyms:	Anisole,3,5-dibromo-4-methyl- (7CI,8CI);2,6-Dibromo-4-methoxytoluene;3,5-Dibromo-4-methylanisole;1,3-Dibromo-5-methoxy-2-methylbenzene;
EINECS:	238-576-2
Density:	1.727 g/cm³
Boiling Point:	271.1 °C at 760 mmHg
Flash Point:	107.6 °C
PSA:	9.23000
LogP:	3.52860

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Specification

The Benzene,1,3-dibromo-5-methoxy-2-methyl-, with the CAS registry number 14542-71-3, is also known as 2,6-Dibromo-4-methoxytoluene. This chemical's molecular formula is C₈H₈Br₂O and molecular weight is 279.96. What's more, its systematic name is 1,3-Dibromo-5-methoxy-2-methylbenzene and its EINECS number is 238-576-2.

Physical properties of Benzene,1,3-dibromo-5-methoxy-2-methyl- are: (1)ACD/LogP: 4.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.33; (4)ACD/LogD (pH 7.4): 4.33; (5)ACD/BCF (pH 5.5): 1151.32; (6)ACD/BCF (pH 7.4): 1151.32; (7)ACD/KOC (pH 5.5): 5405.1; (8)ACD/KOC (pH 7.4): 5405.1; (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)Polarizability: 21.06×10^-24cm³; (17)Surface Tension: 38 dyne/cm; (18)Density: 1.727 g/cm³; (19)Flash Point: 107.6 °C; (20)Enthalpy of Vaporization: 48.88 kJ/mol; (21)Boiling Point: 271.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0109 mmHg at 25°C.

Uses of Benzene,1,3-dibromo-5-methoxy-2-methyl-: it can be used to produce 2,6-dibromo-4-methoxybenzyl bromide by heating. It will need reagents NBS, benzoyl peroxide and solvent CCl₄ with the reaction time of 4 hours. The yield is about 86%.

Benzene,1,3-dibromo-5-methoxy-2-methyl- can be used to produce 2,6-dibromo-4-methoxybenzyl bromide by heating

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(OC)cc(Br)c1C
(2)InChI: InChI=1/C8H8Br2O/c1-5-7(9)3-6(11-2)4-8(5)10/h3-4H,1-2H3
(3)InChIKey: BZRKRRXRNGVEIZ-UHFFFAOYSA-N