2-BROMOBENZALDEHYDE DIETHYL ACETAL

The Benzene,1-bromo-2-(diethoxymethyl)-, with CAS registry number 35822-58-3, belongs to the following product categories: (1)Adehydes, Acetals & Ketones; (2)Bromine Compounds; (3)Acetals/Ketals/Ortho Esters; (4)Organic Building Blocks; (5)Oxygen Compounds. It has the systematic name of 1-bromo-2-(diethoxymethyl)benzene.

Physical properties of Benzene,1-bromo-2-(diethoxymethyl)-: (1)ACD/LogP: 4.07; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 18.46 Å²; (7)Index of Refraction: 1.516; (8)Molar Refractivity: 60.88 cm³; (9)Molar Volume: 201.4 cm³; (10)Polarizability: 24.13×10^-24cm³; (11)Surface Tension: 35.5 dyne/cm; (12)Enthalpy of Vaporization: 48.61 kJ/mol; (13)Vapour Pressure: 0.0127 mmHg at 25°C.

Preparation: this chemical can be prepared by triethoxymethane and 2-bromo-benzaldehyde. This reaction will need reagent potassium hydrogensulphate and solvent ethanol. The reaction time is 3 hour(s). The yield is about 96%.

When you are using this chemical, please be cautious about it as the following:
The Benzene,1-bromo-2-(diethoxymethyl)- is flammable, so keep it away from sources of ignition. This chemical irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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: Brc1ccccc1C(OCC)OCC
(2)InChI: InChI=1/C11H15BrO2/c1-3-13-11(14-4-2)9-7-5-6-8-10(9)12/h5-8,11H,3-4H2,1-2H3
(3)InChIKey: APDGYQVYBWGBSD-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C11H15BrO2/c1-3-13-11(14-4-2)9-7-5-6-8-10(9)12/h5-8,11H,3-4H2,1-2H3
(5)Std. InChIKey: APDGYQVYBWGBSD-UHFFFAOYSA-N