3,4,5,6-Tetrafluorophthalic anhydride

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Product Information

Molecular Formula:
C8F4O3
Molecular Weight:
220.07
Description
3,4,5,6-Tetrafluorophthalic anhydride, a paramount constituent in the realm of pharmaceuticals and fine chemicals synthesis. It is used in the development of therapeutics for specific diseases such as cancer and neurological disorders.
Synonyms
1,3-Isobenzofurandione, 4,5,6,7-tetrafluoro-; 4,5,6,7-Tetrafluoro-1,3-isobenzofurandione; Phthalic anhydride, tetrafluoro-; Tetrafluorophthalic anhydride
IUPAC Name
4,5,6,7-tetrafluoro-2-benzofuran-1,3-dione
Canonical SMILES
C12=C(C(=C(C(=C1F)F)F)F)C(=O)OC2=O
InChI
InChI=1S/C8F4O3/c9-3-1-2(8(14)15-7(1)13)4(10)6(12)5(3)11
InChI Key
BJDDKZDZTHIIJB-UHFFFAOYSA-N
Boiling Point
332.6±42.0°C at 760 mmHg
Melting Point
95°C
Purity
≥95%
Density
1.843±0.06 g/cm3
Solubility
Soluble in most organic solvents, Acetic acid
Appearance
Light grayish to beige powder

Safety Information

Hazards
H315 H319
Precautionary Statement
P264 P280 P302+P350 P305+P351+P338 P332+P313 P337+P313 P362

Computed Properties

XLogP3
1.7
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
0
Exact Mass
219.97835651 g/mol
Monoisotopic Mass
219.97835651 g/mol
Topological Polar Surface Area
43.4Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
291
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)

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The dilution calculator equation

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

This equation is commonly abbreviated as: C1V1 = C2V2

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