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| CAS No.: | 52191-15-8 |
|---|---|
| Name: | 4-(2-bromoethoxy)benzaldehyde |
| Molecular Structure: | |
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| Formula: | C9H9BrO2 |
| Molecular Weight: | 229.073 |
| Synonyms: | 4-(2-Bromoethoxy)benzaldehyde;4-(2-Bromoethyloxy)benzaldehyde;NSC 96627;p-(2-Bromoethoxy)benzaldehyde; |
| Density: | 1.479 g/cm3 |
| Boiling Point: | 327.9 °C at 760 mmHg |
| Flash Point: | 152.1 °C |
| PSA: | 26.30000 |
| LogP: | 2.27280 |
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Specification
The CAS register number of Benzaldehyde,4-(2-bromoethoxy)- is 52191-15-8. It also can be called as 4-(2-Bromoethyloxy)benzaldehyde. The molecular formula about this chemical is C9H9BrO2 and the molecular weight is 229.0706.
Physical properties about Benzaldehyde,4-(2-bromoethoxy)- are: (1)ACD/LogP: 2.47; (2)#H bond acceptors: 2; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 26.3 Å2; (5)Index of Refraction: 1.587; (6)Molar Refractivity: 52.04 cm3; (7)Molar Volume: 154.7 cm3; (8)Polarizability: 20.63x10-24cm3; (9)Surface Tension: 45 dyne/cm; (10)Density: 1.479 g/cm3; (11)Flash Point: 152.1 °C; (12)Enthalpy of Vaporization: 57.03 kJ/mol; (13)Boiling Point: 327.9 °C at 760 mmHg; (14)Vapour Pressure: 0.000196 mmHg at 25 °C.
Preparation: this chemical can be prepared by 4-hydroxy-benzaldehyde and 1-bromo-2-(toluene-4-sulfonyloxy)-ethane. This reaction will need reagent of K2CO3 and solvent of dimethylformamide. The reaction time is 68 hours with ambient temperature. The yield is about 21%.
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Uses of Benzaldehyde,4-(2-bromoethoxy)-: it can be used to produce 4-(2-bromoethoxy)benzaldehyde ethylene acetal with ethane-1,2-diol. This reaction will need reagent of 85percent phosphoric acid and solvent of benzene. This reaction needs heating. The reaction time is 18 hours. The yield is about 90%.
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You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1ccc(OCCBr)cc1
(2)InChI: InChI=1/C9H9BrO2/c10-5-6-12-9-3-1-8(7-11)2-4-9/h1-4,7H,5-6H2
(3)InChIKey: XFHTVCMRNSBQCF-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C9H9BrO2/c10-5-6-12-9-3-1-8(7-11)2-4-9/h1-4,7H,5-6H2
(5)Std. InChIKey: XFHTVCMRNSBQCF-UHFFFAOYSA-N