4,4'-(hexafluoroisopropylidene)diphthalic anhydride

Product Information

Molecular Formula:
C19H6F6O6
Molecular Weight:
444.24
Description
4,4'-(Hexafluoroisopropylidene)diphthalic anhydride is a pivotal compound utilized in the synthesis of cutting-edge biomaterials within the biomedical sector, assumes a notable function in the fabrication of pharmaceutical medications, specifically those engineered to combat an array of ailments, such as cancer, inflammatory afflictions, and neurologic disorders.
Synonyms
2,2'-BIS(3,4-ANHYDRODICARBOXYLPHENYL)HEXAFLUOROPROPANE; 2,2-BIS(3,4-ANHYDRODICARBOXYPHENYL)HEXAFLUOROPROPANE; 2,2-BIS(3,4-DICARBOXYPHENYL)-1,1,1,3,3,3-HEXAFLUOROPROPANE DIANHYDRIDE; 2,2'-BIS-(3,4-DICARBOXYPHENYL)HEXAFLUOROPROPANE DIANHYDRIDE; 4,4'-(HEXAFLUOR
IUPAC Name
5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione
Canonical SMILES
C1=CC2=C(C=C1C(C3=CC4=C(C=C3)C(=O)OC4=O)(C(F)(F)F)C(F)(F)F)C(=O)OC2=O
InChI
InChI=1S/C19H6F6O6/c20-18(21,22)17(19(23,24)25,7-1-3-9-11(5-7)15(28)30-13(9)26)8-2-4-10-12(6-8)16(29)31-14(10)27/h1-6H
InChI Key
QHHKLPCQTTWFSS-UHFFFAOYSA-N
Boiling Point
494.5±45.0 °C(Predicted)
Melting Point
244-247 °C(lit.)
Purity
>98.0%(GC)(T)
Density
1.697 g/cm3
Appearance
White to Almost white powder to crystal

Safety Information

Hazards
H290:
May be corrosive to metals.
H314:
Causes severe skin burns and eye damage.
Precautionary Statement
P260:
Do not breathe dust, fumes, gas, mist, vapours, spray.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P301+P330+P331:
IF SWALLOWED:
Rinse mouth.
Do NOT induce vomiting.
P303+P361+P353:
IF ON SKIN (or hair):
Take off immediately all contaminated clothing. [As modified by IV ATP].
Rinse skin with water/shower.
P304+P340+P310:
IF INHALED:
Remove person to fresh air and keep comfortable for breathing.
Immediately call a POISON CENTER or doctor/physician.
P305+P351+P338+P310:
IF IN EYES:
Rinse cautiously with water for several minutes.
Remove contact lenses if present and easy to do. Continue rinsing.
Immediately call a POISON CENTER or doctor/physician.

Computed Properties

XLogP3
4.6
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
12
Rotatable Bond Count
2
Exact Mass
444.00685688 g/mol
Monoisotopic Mass
444.00685688 g/mol
Topological Polar Surface Area
86.7Ų
Heavy Atom Count
31
Formal Charge
0
Complexity
765
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
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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