3-BROMOBENZALDEHYDE DIETHYL ACETAL

The IUPAC name of 3-Bromobenzaldehyde diethyl acetal is 1-bromo-3-(diethoxymethyl)benzene. With the CAS registry number 75148-49-1, it is also named as Benzene,1-bromo-3-(diethoxymethyl)-. The product's categories are Adehydes, Acetals & Ketones; Bromine Compounds; Acetals/Ketals/Ortho Esters; Organic Building Blocks; Oxygen Compounds. Besides, it is clear colorless liquid, which should be stored in sealed containers in a cool, dry place away from oxidizing agents. In addition, its molecular formula is C₁₁H₁₅BrO₂ and molecular weight is 259.14.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 4.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.07; (4)ACD/LogD (pH 7.4): 4.07; (5)ACD/BCF (pH 5.5): 731.12; (6)ACD/BCF (pH 7.4): 731.12; (7)ACD/KOC (pH 5.5): 3905.22; (8)ACD/KOC (pH 7.4): 3905.22; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.516; (14)Molar Refractivity: 60.88 cm³; (15)Molar Volume: 201.4 cm³; (16)Polarizability: 24.13×10^-24cm³; (17)Surface Tension: 35.5 dyne/cm; (18)Density: 1.286 g/cm³; (19)Flash Point: 98.9 °C; (20)Melting Point: 95 °C/1mm; (21)Enthalpy of Vaporization: 48.64 kJ/mol; (22)Boiling Point: 268.8 °C at 760 mmHg; (23)Vapour Pressure: 0.0125 mmHg at 25 °C.

Preparation of 3-Bromobenzaldehyde diethyl acetal: this chemical can be prepared by 3-bromo-benzaldehyde and ethanol.



This reaction needs I₂ for 1 hour. The yield is 99 %.

Uses of 3-Bromobenzaldehyde diethyl acetal: it can react with diethoxy-dimethyl-silane to get bis-(3-diethoxymethyl-phenyl)-dimethyl-silane.



This reaction needs n-butyllithium, hexane and diethyl ether by heating for 20 hours. The yield is 60 %.

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, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: CCOC(C1=CC(=CC=C1)Br)OCC
(2)InChI: InChI=1S/C11H15BrO2/c1-3-13-11(14-4-2)9-6-5-7-10(12)8-9/h5-8,11H,3-4H2,1-2H3
(3)InChIKey: KDHRJLQXMOBXRV-UHFFFAOYSA-N