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| CAS No.: | 5034-74-2 |
|---|---|
| Name: | 5-BROMO-2-HYDROXY-3-METHOXYBENZALDEHYDE |
| Article Data: | 36 |
| Molecular Structure: | |
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| Formula: | C8H7BrO3 |
| Molecular Weight: | 231.046 |
| Synonyms: | m-Anisaldehyde,5-bromo-2-hydroxy- (7CI,8CI);2-Hydroxy-3-methoxy-5-bromobenzaldehyde;3-Methoxy-5-bromosalicylaldehyde;5-Bromo-2-hydroxy-3-methoxybenzaldehyde;5-Bromo-2-hydroxy-m-anisaldehyde;5-Bromo-3-methoxysalicylaldehyde;5-Bromo-o-vanillin;NSC 95683; |
| EINECS: | 628-660-0 |
| Density: | 1.653g/cm3 |
| Melting Point: | 125-127 °C(lit.) |
| Boiling Point: | 277.2°Cat760mmHg |
| Flash Point: | 121.4°C |
| Appearance: | brown powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 46.53000 |
| LogP: | 1.97580 |
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Specification
The 5-Bromo-2-hydroxy-3-methoxybenzaldehyde with cas registry number of 5034-74-2 is a kind of Aromatic Aldehydes & Derivatives (substituted). It is brown powder and sensitive to air. Both its systematic name and IUPAC name are the same which is called 5-bromo-2-hydroxy-3-methoxybenzaldehyde.
The physical properties about this chemical are: (1)ACD/LogP: 2.63; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Index of Refraction: 1.622; (7)Molar Refractivity: 49.25 cm3; (8)Molar Volume: 139.7 cm3; (9)Surface Tension: 51.6 dyne/cm; (10)Density: 1.653 g/cm3; (11)Flash Point: 121.4 °C; (12)Enthalpy of Vaporization: 53.65 kJ/mol; (13)Boiling Point: 277.2 °C at 760 mmHg; (14)Vapour Pressure: 0.00272 mmHg at 25°C.
Preparation: this chemical can be made by 2-hydroxy-3-methoxy-benzaldehyde with reagents Br2 and solvent Acetic acid. The reaction occurs at temperature of 0 ℃ for 2 hours. The yield is 80%.
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Uses of 5-Bromo-2-hydroxy-3-methoxybenzaldehyde: it can react with iodomethane to give 5-bromo-2,3-dimethoxy-benzaldehyde. This reaction is a Methylation reaction which occurs at temperature 80 ℃ by using reagents K2CO3 and solvent butan-2-one for 2 hours. The yield is about 93%.
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When you are using this chemical, please be cautious about it as the following:
Wear suitable gloves and eye/face protection for this chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(c(O)c(OC)c1)C=O;
(2)InChI: InChI=1/C8H7BrO3/c1-12-7-3-6(9)2-5(4-10)8(7)11/h2-4,11H,1H3;
(3)InChIKey: MMFKBTPDEVLIOR-UHFFFAOYAX