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CAS No.: | 3351-59-5 |
---|---|
Name: | 1-(BENZYLOXY)-4-(2-BROMOETHOXY)BENZENE |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C15H15BrO2 |
Molecular Weight: | 307.187 |
Synonyms: | Benzene,1-(benzyloxy)-4-(2-bromoethoxy)- (7CI,8CI);1-Benzyloxy-4-(2-bromoethoxy)benzene;1-Bromo-2-[4-(benzyloxy)phenoxy]ethane;2-(4-Benzyloxyphenoxy)ethyl bromide; |
Density: | 1.348 g/cm3 |
Melting Point: | 85-87 ºC |
Boiling Point: | 406.8 °C at 760 mmHg |
Flash Point: | 178.2 °C |
Hazard Symbols: | Xi |
PSA: | 18.46000 |
LogP: | 4.03930 |
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The Benzene,1-(2-bromoethoxy)-4-(phenylmethoxy)-, with the CAS registry number 3351-59-5, is also known as 2-(4-Benzyloxyphenoxy)ethyl bromide. This chemical's molecular formula is C15H15BrO2 and molecular weight is 307.18. What's more, its systematic name is 1-(benzyloxy)-4-(2-bromoethoxy)benzene.
Physical properties of Benzene,1-(2-bromoethoxy)-4-(phenylmethoxy)- are: (1)ACD/LogP: 4.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 5; (4)ACD/BCF (pH 5.5): 1602; (5)ACD/KOC (pH 5.5): 6848; (6)#H bond acceptors: 2; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 6; (9)Polar Surface Area: 18.46 Å2; (10)Index of Refraction: 1.586; (11)Molar Refractivity: 76.462 cm3; (12)Molar Volume: 227.828 cm3; (13)Surface Tension: 43.376 dyne/cm; (14)Density: 1.348 g/cm3; (15)Flash Point: 178.234 °C; (16)Enthalpy of Vaporization: 63.291 kJ/mol; (17)Boiling Point: 406.75 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: BrCCOc2ccc(OCc1ccccc1)cc2
(2)InChI: InChI=1S/C15H15BrO2/c16-10-11-17-14-6-8-15(9-7-14)18-12-13-4-2-1-3-5-13/h1-9H,10-12H2
(3)InChIKey: RZVDMCGNBFASBU-UHFFFAOYSA-N