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CAS No.: | 16932-45-9 |
---|---|
Name: | 1-Bromo-2,6-dimethoxybenzene |
Article Data: | 22 |
Molecular Structure: | |
Formula: | C8H9BrO2 |
Molecular Weight: | 217.062 |
Synonyms: | 1-Bromo-2,6-dimethoxybenzene;2,6-Dimethoxybromobenzene;2-Bromo-1,3-dimethoxybenzene;2-Bromo-3-methoxyanisole; |
Density: | 1.412 g/cm3 |
Melting Point: | 91-94 °C |
Boiling Point: | 250 °C at 760 mmHg |
Flash Point: | 106 °C |
Solubility: | Insoluble in water. |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 18.46000 |
LogP: | 2.46630 |
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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 %.
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 %.
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