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1-Bromo-2,6-dimethoxybenzene

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Name

1-Bromo-2,6-dimethoxybenzene

EINECS N/A
CAS No. 16932-45-9 Density 1.412 g/cm3
PSA 18.46000 LogP 2.46630
Solubility Insoluble in water. Melting Point 91-94 °C
Formula C8H9BrO2 Boiling Point 250 °C at 760 mmHg
Molecular Weight 217.062 Flash Point 106 °C
Transport Information N/A Appearance N/A
Safety Risk Codes 22
Molecular Structure Molecular Structure of 16932-45-9 (1-Bromo-2,6-dimethoxybenzene) Hazard Symbols Xn
Synonyms

1-Bromo-2,6-dimethoxybenzene;2,6-Dimethoxybromobenzene;2-Bromo-1,3-dimethoxybenzene;2-Bromo-3-methoxyanisole;

Article Data 22

1-Bromo-2,6-dimethoxybenzene Specification

The Benzene, 2-bromo-1, 3-dimethoxy-, with the CAS registry number 16932-45-9, is also known as 1-Bromo-2, 6-dimethoxybenzene. This chemical's molecular formula is C8H9BrO2 and molecular weight is 217.06. What's more, its systematic name is 2-Bromo-1, 3-dimethoxybenzene.

Physical properties about Benzene, 2-bromo-1, 3-dimethoxy- are: (1)ACD/LogP: 2.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.3; (4)ACD/LogD (pH 7.4): 2.3; (5)ACD/BCF (pH 5.5): 33.02; (6)ACD/BCF (pH 7.4): 33.02; (7)ACD/KOC (pH 5.5): 425.35; (8)ACD/KOC (pH 7.4): 425.35; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.527; (14)Molar Refractivity: 47.3 cm3; (15)Molar Volume: 153.6 cm3; (16)Polarizability: 18.75×10-24 cm3; (17)Surface Tension: 34 dyne/cm; (18)Density: 1.412 g/cm3; (19)Flash Point: 106 °C; (20)Enthalpy of Vaporization: 46.75 kJ/mol; (21)Boiling Point: 250 °C at 760 mmHg; (22)Vapour Pressure: 0.0352 mmHg at 25 °C.

Preparation of Benzene, 2-bromo-1, 3-dimethoxy-: this chemical is prepared by Bis-(2, 6-dimethoxy-phenyl)-dimethyl-silane at ambient temperature. The reaction needs reagent N-bromosuccinimide and solvent Acetone. The yield is about 64 %.

The Benzene, 2-bromo-1, 3-dimethoxy- can be obtained by Bis-(2, 6-dimethoxy-phenyl)-dimethyl-silane.

Uses of Benzene, 2-bromo-1, 3-dimethoxy-: it is used to produce other chemicals. For example, it is used to produce 1-(2, 6-Dimethoxy-phenyl)-1H-indole-2-carboxylic acid ethyl ester by heating. This reaction needs reagents K2CO3, Cu2Br2, Pyridine. Meanwhile, it needs solvent Nitrobenzene. The reaction time is 18 hours. The yield is about 33 %.

Benzene, 2-bromo-1, 3-dimethoxy- can react with Indole-2-carboxylic acid ethyl ester to get  1-(2, 6-Dimethoxy-phenyl)-1H-indole-2-carboxylic acid ethyl ester.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1c(OC)cccc1OC
(2) InChI: InChI=1/C8H9BrO2/c1-10-6-4-3-5-7(11-2)8(6)9/h3-5H,1-2H3
(3) InChIKey: VHVYSMMZHORFKU-UHFFFAOYAG

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