Benzaldehyde,3-bromo-5-ethoxy-4-hydroxy- (3111-37-3)

The systematic name about this chemical is 3-bromo-5-ethoxy-4-hydroxybenzaldehyde. The CAS register number of 3-Bromo-5-ethoxy-4-hydroxybenzaldehyde is 3111-37-3. It also can be called as Benzaldehyde, 3-bromo-5-ethoxy-4-hydroxy. Its molecular formula is C₉H₉BrO₃ and molecular weight is 245.07.

Physical properties about 3-Bromo-5-ethoxy-4-hydroxybenzaldehyde are: (1)ACD/LogP: 2.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.88; (4)ACD/LogD (pH 7.4): 1.88; (5)ACD/BCF (pH 5.5): 87.71; (6)ACD/BCF (pH 7.4): 8.83; (7)ACD/KOC (pH 5.5): 826.82; (8)ACD/KOC (pH 7.4): 83.23; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 35.53Ų; (13)Index of Refraction: 1.606; (14)Molar Refractivity: 53.88 cm³; (15)Molar Volume: 156.2 cm³; (16)Surface Tension: 49.4 dyne/cm; (17)Density: 1.568 g/cm³; (18)Flash Point: 137.5 °C; (19)Enthalpy of Vaporization: 56.58 kJ/mol; (20)Boiling Point: 303.8 °C at 760 mmHg; (21)Vapour Pressure: 0.000506 mmHg at 25°C.

Uses of 3-Bromo-5-ethoxy-4-hydroxybenzaldehyde: It reacts with iodomethane to get 5-Brom-4-methoxy-3-aethoxy-benzaldehyd. This reaction needs solvent dimethylformamide. The reaction time is 1 hour. The yield is 55 %.



When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. People must wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1.SMILES: Brc1cc(cc(OCC)c1O)C=O
2.InChI: InChI=1/C9H9BrO3/c1-2-13-8-4-6(5-11)3-7(10)9(8)12/h3-5,12H,2H2,1H3
3.InChIKey: GWEFTCNMUHHQLP-UHFFFAOYAG
4.Std. InChI: InChI=1S/C9H9BrO3/c1-2-13-8-4-6(5-11)3-7(10)9(8)12/h3-5,12H,2H2,1H3