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| CAS No.: | 38603-09-7 |
|---|---|
| Name: | 2,6-DIBROMOANISOLE |
| Molecular Structure: | |
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| Formula: | C7H6Br2O |
| Molecular Weight: | 265.932 |
| Synonyms: | Anisole,2,6-dibromo- (6CI);1,3-Dibromo-2-methoxybenzene;2,6-Dibromo-1-methoxybenzene; |
| Density: | 1.824 g/cm3 |
| Melting Point: | 13 °C |
| Boiling Point: | 253.7 °C at 760 mmHg |
| Flash Point: | 99.9 °C |
| Appearance: | Colorless to light yellow liqiud |
| PSA: | 9.23000 |
| LogP: | 3.22020 |
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Specification
The Benzene,1,3-dibromo-2-methoxy-, with CAS registry number 38603-09-7, belongs to the following product category: Anisole. It has the systematic name of 1,3-dibromo-2-methoxybenzene. Besides this, it is also called 2,6-Dibromoanisole. And the chemical formula of this chemical is C7H6Br2O.
Physical properties of Benzene,1,3-dibromo-2-methoxy-: (1)ACD/LogP: 3.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.23; (4)ACD/LogD (pH 7.4): 3.23; (5)ACD/BCF (pH 5.5): 167.93; (6)ACD/BCF (pH 7.4): 167.93; (7)ACD/KOC (pH 5.5): 1362.58; (8)ACD/KOC (pH 7.4): 1362.58; (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: 48.31 cm3; (15)Molar Volume: 145.8 cm3; (16)Polarizability: 19.15×10-24cm3; (17)Surface Tension: 39.2 dyne/cm; (18)Density: 1.823 g/cm3; (19)Flash Point: 99.9 °C; (20)Enthalpy of Vaporization: 47.13 kJ/mol; (21)Boiling Point: 253.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0287 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cccc(Br)c1OC
(2)InChI: InChI=1/C7H6Br2O/c1-10-7-5(8)3-2-4-6(7)9/h2-4H,1H3
(3)InChIKey: BMZVDHQOAJUZJL-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C7H6Br2O/c1-10-7-5(8)3-2-4-6(7)9/h2-4H,1H3
(5)Std. InChIKey: BMZVDHQOAJUZJL-UHFFFAOYSA-N