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| CAS No.: | 95970-08-4 |
|---|---|
| Name: | 2,5-DIBROMOANISOLE |
| Molecular Structure: | |
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| Formula: | C7H6Br2O |
| Molecular Weight: | 265.932 |
| Synonyms: | 1,4-Dibromo-2-methoxybenzene;2,5-Dibromophenyl methyl ether; |
| Density: | 1.824 g/cm3 |
| Boiling Point: | 252.043 °C at 760 mmHg |
| Flash Point: | 99.148 °C |
| PSA: | 9.23000 |
| LogP: | 3.22020 |
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- Total:36 Page 1 of 1 1
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Specification
The 2,5-Dibromoanisole, with the CAS registry number 95970-08-4, is also known as 2,5-Dibromophenyl methyl ether. It belongs to the product categories of Anisoles, Alkyloxy Compounds & Phenylacetates; Bromine Compounds. This chemical's molecular formula is C7H6Br2O and molecular weight is 265.93. What's more, its systematic name is 1,4-Dibromo-2-methoxybenzene.
Physical properties of 4-Bromo-2-methoxyphenylboronic acid are: (1)ACD/LogP: 3.624; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.62; (4)ACD/LogD (pH 7.4): 3.62; (5)ACD/BCF (pH 5.5): 334.62; (6)ACD/BCF (pH 7.4): 334.62; (7)ACD/KOC (pH 5.5): 2231.92; (8)ACD/KOC (pH 7.4): 2231.92; (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: 1.576; (14)Molar Refractivity: 48.312 cm3; (15)Molar Volume: 145.805 cm3; (16)Polarizability: 19.152×10-24cm3; (17)Surface Tension: 39.24 dyne/cm; (18)Density: 1.824 g/cm3; (19)Flash Point: 99.148 °C; (20)Enthalpy of Vaporization: 46.959 kJ/mol; (21)Boiling Point: 252.043 °C at 760 mmHg; (22)Vapour Pressure: 0.03 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: COc1cc(Br)ccc1Br
(2)Std. InChI: InChI=1S/C7H6Br2O/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,1H3
(3)Std. InChIKey: YJGNTPRGNRICPY-UHFFFAOYSA-N