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CAS No.: | 37895-73-1 |
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Name: | 4,5-DIBROMOVERATROLE |
Article Data: | 45 |
Molecular Structure: | |
Formula: | C8H8Br2O2 |
Molecular Weight: | 295.958 |
Synonyms: | 1,2-Dibromo-4,5-dimethoxybenzene;4,5-Dibromoveratrole;4,5-Dibromoveratrole; |
EINECS: | 253-705-2 |
Density: | 1.742 g/cm3 |
Melting Point: | 90-92°C |
Boiling Point: | 286.6 °C at 760 mmHg |
Flash Point: | 114.5 °C |
Solubility: | Insoluble in water. |
Safety: | 22-24/25 |
PSA: | 18.46000 |
LogP: | 3.22880 |
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The Benzene,1,2-dibromo-4,5-dimethoxy-, with the CAS registry number 37895-73-1, is also known as 4,5-Dibromoveratrole. Its EINECS number is 253-705-2. This chemical's molecular formula is C8H8Br2O2 and molecular weight is 295.96. What's more, its IUPAC name is 1,2-dibromo-4,5-dimethoxybenzene. When you are using this chemical, please be cautious about it. You should not breathe dust. What's more, you should avoid contact with skin and eyes.
Physical properties of Benzene,1,2-dibromo-4,5-dimethoxy- are: (1)ACD/LogP: 4.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.13; (4)ACD/LogD (pH 7.4): 4.13; (5)ACD/BCF (pH 5.5): 804.24; (6)ACD/BCF (pH 7.4): 804.24; (7)ACD/KOC (pH 5.5): 4180.94; (8)ACD/KOC (pH 7.4): 4180.94; (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: 1.561; (14)Molar Refractivity: 54.99 cm3; (15)Molar Volume: 169.8 cm3; (16)Polarizability: 21.79×10-24cm3; (17)Surface Tension: 38 dyne/cm; (18)Density: 1.742 g/cm3; (19)Flash Point: 114.5 °C; (20)Enthalpy of Vaporization: 50.46 kJ/mol; (21)Boiling Point: 286.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00451 mmHg at 25°C.
Preparation: this chemical can be prepared by 1,2-dimethoxy-benzene by heating. This reaction will need reagents bromodimethylsulfonium bromide, acetic acid and solvent H2O with the reaction time of 2 hours. The yield is about 75%.
Uses of Benzene,1,2-dibromo-4,5-dimethoxy-: it can be used to produce 1,4-dihydro-6,7-dimethoxy-1,4-epoxynaphthalene at the temperature of -78°C. It will need reagent BuLi and solvents tetrahydrofuran, hexane with the reaction time of 1.5 hours. The yield is about 87%.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(OC)c(OC)cc1Br
(2)Std. InChI: InChI=1S/C8H8Br2O2/c1-11-7-3-5(9)6(10)4-8(7)12-2/h3-4H,1-2H3
(3)Std. InChIKey: ZYCLQXMMFJREPJ-UHFFFAOYSA-N