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| CAS No.: | 35822-58-3 |
|---|---|
| Name: | 2-BROMOBENZALDEHYDE DIETHYL ACETAL |
| Article Data: | 12 |
| Molecular Structure: | |
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| Formula: | C11H15BrO2 |
| Molecular Weight: | 259.143 |
| Synonyms: | 2-(Diethoxymethyl)bromobenzene;2-Bromobenzaldehyde diethyl acetal;o-Bromobenzaldehyde diethyl acetal; |
| Density: | 1.285g/cm3 |
| Boiling Point: | 268.4 °C at 760 mmHg |
| Flash Point: | 98.7 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 10-36/37/38 |
| Safety: | 16-26-36 |
| Transport Information: | UN1993 |
| PSA: | 18.46000 |
| LogP: | 3.52070 |
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Specification
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%.
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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