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| CAS No.: | 52783-83-2 |
|---|---|
| Name: | 4-ACETOXY-2-BROMO-5-METHOXYBENZALDEHYDE 98 |
| Molecular Structure: | |
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|
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| Formula: | C10H9BrO4 |
| Molecular Weight: | 273.083 |
| Synonyms: | 4-Acetoxy-2-bromo-5-methoxybenzaldehyde; |
| Density: | 1.526 g/cm3 |
| Melting Point: | 110-113 °C |
| Boiling Point: | 336.4 °C at 760 mmHg |
| Flash Point: | 157.2 °C |
| Hazard Symbols: |
 Xi
|
| PSA: | 52.60000 |
| LogP: | 2.19550 |
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Specification
The Benzaldehyde,4-(acetyloxy)-2-bromo-5-methoxy-, with the CAS registry number 52783-83-2, is also known as 4-Acetoxy-2-bromo-5-methoxybenzaldehyde. Its molecular formula is C10H9BrO4 and its product categories are Aldehydes; Blocks; Bromides. What's more, it has the IUPAC name (5-bromo-4-formyl-2-methoxyphenyl) acetate. As this chemical is irritant, please keep it cold and be careful when you use it.
Physical properties about Benzaldehyde,4-(acetyloxy)-2-bromo-5-methoxy- are: (1)ACD/LogP: 2.30; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 52.6 Å2; (7)Index of Refraction: 1.57; (8)Molar Refractivity: 58.71 cm3; (9)Molar Volume: 178.9 cm3; (10)Surface Tension: 44 dyne/cm; (11)Density: 1.526 g/cm3; (12)Flash Point: 157.2 °C; (13)Enthalpy of Vaporization: 57.95 kJ/mol; (14)Boiling Point: 336.4 °C at 760 mmHg; (15)Vapour Pressure: 0.000113 mmHg at 25 °C.
Preparation of the Benzaldehyde,4-(acetyloxy)-2-bromo-5-methoxy-: It can be prepared by 4-Acetoxy-3-methoxy-benzaldehyde. This reaction needs reagents Br2, NaOAc, I2, AcOH and its yield is 62 %.
-2-bromo-5-methoxy-.jpg)
Uses of the Benzaldehyde,4-(acetyloxy)-2-bromo-5-methoxy-: It can be used to produce 2-bromo-4-hydroxy-5-methoxy-benzaldehyde. This reaction need the reagent KOH and the solvents tetrahydrofuran, H2O. The reaction time is 2 hours and the yield is 88 %. In addition, this reaction should be taken at ambient temperature.
-2-bromo-5-methoxy-.jpg)
You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc1cc(OC)c(OC(=O)C)cc1Br
(2) InChI: InChI=1/C10H9BrO4/c1-6(13)15-10-4-8(11)7(5-12)3-9(10)14-2/h3-5H,1-2H3
(3) InChIKey: XDMGEKUQVOHMGM-UHFFFAOYAJ