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Name |
Benzaldehyde, 2-[(3-chlorophenyl)methoxy]- |
EINECS | N/A |
CAS No. | 40359-59-9 | Density | 1.247 g/cm3 |
PSA | 26.30000 | LogP | 3.73150 |
Solubility | N/A | Melting Point |
38 °C |
Formula | C14H11ClO2 | Boiling Point | 387.3 °C at 760 mmHg |
Molecular Weight | 246.693 | Flash Point | 161.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
2-(3-Chlorobenzyloxy)benzaldehyde; |
Article Data | 2 |
The CAS registry number of Benzaldehyde, 2-[(3-chlorophenyl)methoxy]- is 40359-59-9. This chemical's molecular formula is C14H11ClO2 and molecular weight is 246.69. What's more, its IUPAC name is 2-[(3-Chlorophenyl)methoxy]benzaldehyde and systematic name is 2-[(3-Chlorobenzyl)oxy]benzaldehyde. In addition, it is irritanting and may cause inflammation to the skin or other mucous membranes.
Physical properties about Benzaldehyde, 2-[(3-chlorophenyl)methoxy]- are: (1)ACD/LogP: 3.97; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.615; (8)Molar Refractivity: 69.06 cm3; (9)Molar Volume: 197.7 cm3; (10)Polarizability: 27.38×10-24 cm3; (11)Surface Tension: 46.7 dyne/cm; (12)Density: 1.247 g/cm3; (13)Flash Point: 161.2 °C; (14)Enthalpy of Vaporization: 63.63 kJ/mol; (15)Boiling Point: 387.3 °C at 760 mmHg; (16)Vapour Pressure: 3.34E-06 mmHg at 25 °C.
Preparation of Benzaldehyde, 2-[(3-chlorophenyl)methoxy]-: this chemical can be prepared by 2-hydroxy-benzaldehyde with 1-bromomethyl-3-chloro-benzene. This reaction needs reagent KF/Al2O3 and solvent dimethylformamide at temperature of 153 °C. The reaction time is 4 hours. The yield is 57%. The reaction equation is as followed:
Uses of Benzaldehyde, 2-[(3-chlorophenyl)methoxy]-: (1) it is used as reagent; (2) it is used to produce other chemicals. For example, it can be used to produce 2-(m-chlorophenyl)benzofuran. The reaction occurs with reagent alkali metal fluoride/Al2O3 and other condition at temperature of 153 °C for 4 hours. The solvent of this reaction is dimethylformamide. The yield is 59%. The reaction equation is as followed:
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc(ccc1)COc2ccccc2C=O
(2) InChI: InChI=1/C14H11ClO2/c15-13-6-3-4-11(8-13)10-17-14-7-2-1-5-12(14)9-16/h1-9H,10H2
(3) InChIKey: MENPASVPECUNNR-UHFFFAOYAU