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| CAS No.: | 52849-52-2 |
|---|---|
| Name: | 4-BROMO-2-ETHOXY-1-METHOXYBENZENE |
| Molecular Structure: | |
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| Formula: | C9H11BrO2 |
| Molecular Weight: | 231.089 |
| Synonyms: | 1-Bromo-3-ethoxy-4-methoxybenzene;4-Bromo-2-ethoxy-1-methoxybenzene;4-Bromo-2-ethoxyanisole; |
| Density: | 1.358 g/cm3 |
| Boiling Point: | 252.08 °C at 760 mmHg |
| Flash Point: | 100.607 °C |
| PSA: | 18.46000 |
| LogP: | 2.85640 |
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Specification
The Benzene, 4-bromo-2-ethoxy-1-methoxy-, with the CAS registry number 52849-52-2, is also known as 3-Ethoxy-4-methoxybromobenzene. This chemical's molecular formula is C9H11BrO2 and molecular weight is 231.0864. What's more, its systematic name is 4-Bromo-2-ethoxy-1-methoxybenzene.
Physical properties about Benzene, 4-bromo-2-ethoxy-1-methoxy- are: (1)ACD/LogP: 3.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 343; (6)ACD/BCF (pH 7.4): 343; (7)ACD/KOC (pH 5.5): 2271; (8)ACD/KOC (pH 7.4): 2271; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.523; (14)Molar Refractivity: 51.933 cm3; (15)Molar Volume: 170.13 cm3; (16)Polarizability: 20.588×10-24 cm3; (17)Surface Tension: 34.025 dyne/cm; (18)Density: 1.358 g/cm3; (19)Flash Point: 100.607 °C; (20)Enthalpy of Vaporization: 46.962 kJ/mol; (21)Boiling Point: 252.08 °C at 760 mmHg; (22)Vapour Pressure: 0.031 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: COc1ccc(Br)cc1OCC
(2) InChI: InChI=1/C9H11BrO2/c1-3-12-9-6-7(10)4-5-8(9)11-2/h4-6H,3H2,1-2H3
(3) InChIKey: WWHVUIQBSPEWNK-UHFFFAOYAU