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52191-15-8

Basic Information
CAS No.: 52191-15-8
Name: 4-(2-bromoethoxy)benzaldehyde
Article Data: 106
Molecular Structure:
Molecular Structure of 52191-15-8 (4-(2-bromoethoxy)benzaldehyde)
Formula: C9H9BrO2
Molecular Weight: 229.073
Synonyms: 4-(2-Bromoethoxy)benzaldehyde;4-(2-Bromoethyloxy)benzaldehyde;NSC 96627;p-(2-Bromoethoxy)benzaldehyde;
Density: 1.479 g/cm3
Boiling Point: 327.9 °C at 760 mmHg
Flash Point: 152.1 °C
PSA: 26.30000
LogP: 2.27280
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Specification

The CAS register number of Benzaldehyde,4-(2-bromoethoxy)- is 52191-15-8. It also can be called as 4-(2-Bromoethyloxy)benzaldehyde. The molecular formula about this chemical is C9H9BrO2 and the molecular weight is 229.0706.

Physical properties about Benzaldehyde,4-(2-bromoethoxy)- are: (1)ACD/LogP: 2.47; (2)#H bond acceptors: 2; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 26.3 Å2; (5)Index of Refraction: 1.587; (6)Molar Refractivity: 52.04 cm3; (7)Molar Volume: 154.7 cm3; (8)Polarizability: 20.63x10-24cm3; (9)Surface Tension: 45 dyne/cm; (10)Density: 1.479 g/cm3; (11)Flash Point: 152.1 °C; (12)Enthalpy of Vaporization: 57.03 kJ/mol; (13)Boiling Point: 327.9 °C at 760 mmHg; (14)Vapour Pressure: 0.000196 mmHg at 25 °C.

Preparation: this chemical can be prepared by 4-hydroxy-benzaldehyde and 1-bromo-2-(toluene-4-sulfonyloxy)-ethane. This reaction will need reagent of K2CO3 and solvent of dimethylformamide. The reaction time is 68 hours with ambient temperature. The yield is about 21%.

Uses of Benzaldehyde,4-(2-bromoethoxy)-: it can be used to produce 4-(2-bromoethoxy)benzaldehyde ethylene acetal with ethane-1,2-diol. This reaction will need reagent of 85percent phosphoric acid and solvent of benzene. This reaction needs heating. The reaction time is 18 hours. The yield is about 90%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1ccc(OCCBr)cc1
(2)InChI: InChI=1/C9H9BrO2/c10-5-6-12-9-3-1-8(7-11)2-4-9/h1-4,7H,5-6H2
(3)InChIKey: XFHTVCMRNSBQCF-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C9H9BrO2/c10-5-6-12-9-3-1-8(7-11)2-4-9/h1-4,7H,5-6H2
(5)Std. InChIKey: XFHTVCMRNSBQCF-UHFFFAOYSA-N