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| CAS No.: | 20035-41-0 |
|---|---|
| Name: | 6-Bromo-2-hydroxy-3-methoxybenzaldehyde |
| Article Data: | 20 |
| Molecular Structure: | |
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|
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| Formula: | C8H7BrO3 |
| Molecular Weight: | 231.046 |
| Synonyms: | Benzaldehyde, 6-bromo-2-hydroxy-3-methoxy-; |
| Density: | 1.653 g/cm3 |
| Melting Point: | 102-105 °C(lit.) |
| Boiling Point: | 282.1 °C at 760 mmHg |
| Flash Point: | 124.4 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 46.53000 |
| LogP: | 1.97580 |
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Specification
The CAS register number of 6-Bromo-2-hydroxy-3-methoxybenzaldehyde is 20035-41-0. It also can be called as Benzaldehyde, 6-bromo-2-hydroxy-3-methoxy- and the systematic name about this chemical is 6-bromo-2-hydroxy-3-methoxybenzaldehyde. The molecular formula about this chemical is C8H7BrO3 and the molecular weight is 231.04. It belongs to the following product categories which include Aldehydes; C8; Carbonyl Compounds and so on.
Physical properties about 6-Bromo-2-hydroxy-3-methoxybenzaldehyde are: (1)ACD/LogP: 2.85; (2)#H bond acceptors: 3; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 3; (5)Polar Surface Area: 35.53Å2; (6)Index of Refraction: 1.622; (7)Molar Refractivity: 49.25 cm3; (8)Molar Volume: 139.7 cm3; (9)Polarizability: 19.52x10-24cm3; (10)Surface Tension: 51.6 dyne/cm; (11)Flash Point: 124.4 °C; (12)Enthalpy of Vaporization: 54.18 kJ/mol; (13)Boiling Point: 282.1 °C at 760 mmHg; (14)Vapour Pressure: 0.00201 mmHg at 25°C.
Preparation: this chemical can be prepared by 2-acetoxy-3-methoxy-benzaldehyde. This reaction will need reagent KBr, bromine and solvent H2O. The reaction time is 1 hour(s). The yield is about 68%.
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Uses of 6-Bromo-2-hydroxy-3-methoxybenzaldehyde: it can be used to produce 6-bromo-2,3-dihydroxybenzaldehyde at temperature of 20 °C. This reaction will need reagent BBr3 and solvent CH2Cl2 with reaction time of 2 hours. The yield is about 77%.
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When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. 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: O=Cc1c(O)c(OC)ccc1Br
(2)InChI: InChI=1/C8H7BrO3/c1-12-7-3-2-6(9)5(4-10)8(7)11/h2-4,11H,1H3
(3)InChIKey: JUPJZUTYDWXZAQ-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C8H7BrO3/c1-12-7-3-2-6(9)5(4-10)8(7)11/h2-4,11H,1H3
(5)Std. InChIKey: JUPJZUTYDWXZAQ-UHFFFAOYSA-N