4,4'-(Ethyne-1,2-diyl)diphthalic Anhydride

Product Information

Molecular Formula:
C18H6O6
Molecular Weight:
318.24
Description
4,4'-(Ethyne-1,2-diyl)diphthalic Anhydride exhibits good thermal and chemical stability, making it a potential candidate for drug delivery systems and medical implants.
Synonyms
5,5'-(Ethyne-1,2-diyl)bis(isobenzofuran-1,3-dione)
IUPAC Name
5-[2-(1,3-dioxo-2-benzofuran-5-yl)ethynyl]-2-benzofuran-1,3-dione
Canonical SMILES
C1=CC2=C(C=C1C#CC3=CC4=C(C=C3)C(=O)OC4=O)C(=O)OC2=O
InChI
InChI=1S/C18H6O6/c19-15-11-5-3-9(7-13(11)17(21)23-15)1-2-10-4-6-12-14(8-10)18(22)24-16(12)20/h3-8H
InChI Key
XGZRRDYHYZLYIJ-UHFFFAOYSA-N
Boiling Point
633.9±40.0 °C(Predicted)
Melting Point
350 °C(dec.)
Purity
>98.0%(T)(HPLC)
Density
1.65±0.1 g/cm3(Predicted)
Appearance
White to Yellow to Orange powder to crystal

Safety Information

Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].

Computed Properties

XLogP3
2.7
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
2
Exact Mass
318.01643791 g/mol
Monoisotopic Mass
318.01643791 g/mol
Topological Polar Surface Area
86.7Ų
Heavy Atom Count
24
Formal Charge
0
Complexity
639
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

Patents

Publication Number Title Priority Date
WO-2021092419-A1 Reactive polyamideimide oligomers, methods, and articles 2019-11-08
WO-2021092473-A1 Reactive oligomers, additive manufacturing methods, and articles thereof 2019-11-08
EP-3760344-A1 Powder material for producing three-dimensional object, kit for producing three-dimensional object, and three-dimensional object producing method and apparatus 2019-07-04
US-2021001543-A1 Powder material for producing three-dimensional object, kit for producing three-dimensional object, and three-dimensional object producing method and apparatus 2019-07-04
US-2020332193-A1 Liquid crystal element used for phase control of electromagnetic wave signal 2019-04-18
US-2020332062-A1 Material for forming organic film, substrate for manufacturing semiconductor device, method for forming organic film, patterning process, and compound for forming organic film 2019-04-16
TW-202005143-A Polyimide, laminate, and electric device containing the same 2018-04-20
WO-2019203353-A1 Polyimide, layered product, and electronc device including same 2018-04-20
US-2021171714-A1 Polyimide, layered product, and electronc device including same 2018-04-20
US-2019315921-A1 Organosilicon-modified polyimide resin composition and use thereof 2018-04-17
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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