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5-Bromo-2-hydroxy-3-methoxybenzaldehyde

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Name

5-Bromo-2-hydroxy-3-methoxybenzaldehyde

EINECS 628-660-0
CAS No. 5034-74-2 Density 1.653g/cm3
PSA 46.53000 LogP 1.97580
Solubility N/A Melting Point 125-127 °C(lit.)
Formula C8H7BrO3 Boiling Point 277.2°Cat760mmHg
Molecular Weight 231.046 Flash Point 121.4°C
Transport Information N/A Appearance brown powder
Safety 26-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 5034-74-2 (5-BROMO-2-HYDROXY-3-METHOXYBENZALDEHYDE) Hazard Symbols IrritantXi
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;

Article Data 36

5-Bromo-2-hydroxy-3-methoxybenzaldehyde 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%.

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%.

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

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