Bisphenol F Bis(2-chloro-1-propanol) Ether(Mixture of Diastereomers)

Product Information

Molecular Formula:
C19H22Cl2O4
Molecular Weight:
385.28
Description
Applications: Bisphenol F Bis(2-chloro-1-propanol)ether is a derivative of Bisphenol F Diglycidyl Ether (BFDGE). Bisphenol F Bis(2-chloro-1-propanol)ether is used as a standard for determining toxic monomers released from polymers of the inner coating of cans.
Synonyms
3,3'-[Methylenebis(4,1-phenyleneoxy)]bis[2-chloro-1-propanol]||||BFDGE.2HCl
IUPAC Name
2-chloro-3-[4-[[4-(2-chloro-3-hydroxypropoxy)phenyl]methyl]phenoxy]propan-1-ol
Canonical SMILES
C1=CC(=CC=C1CC2=CC=C(C=C2)OCC(CO)Cl)OCC(CO)Cl
InChI
InChI=1S/C19H22Cl2O4/c20-16(10-22)12-24-18-5-1-14(2-6-18)9-15-3-7-19(8-4-15)25-13-17(21)11-23/h1-8,16-17,22-23H,9-13H2
InChI Key
VAFXFEBPCUMOIF-UHFFFAOYSA-N
Boiling Point
546.4±45.0 °C(Predicted)
Density
1.278±0.06 g/cm3(Predicted)
Appearance
White Solid
Storage
-20°C Freezer

Computed Properties

XLogP3
3.7
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
10
Exact Mass
384.0895146 g/mol
Monoisotopic Mass
384.0895146 g/mol
Topological Polar Surface Area
58.9Ų
Heavy Atom Count
25
Formal Charge
0
Complexity
310
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
2
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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