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1,4-Phenylene Bis(anhydrotrimellitate)

1,4-Phenylene Bis(anhydrotrimellitate)

Name: 1,4-Phenylene Bis(anhydrotrimellitate)
Brand: BOC Sciences
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Molecular Formula:

C24H10O10

Molecular Weight:

458.33

CAS Number:

2770-49-2

Catalog Number:

2770-49-2

Product Information

Molecular Formula:

C24H10O10

Molecular Weight:

458.33

Description

1,4-Phenylene Bis(anhydrotrimellitate) is an organic anhydride and can be used as a medical intermediate.

Synonyms

1,4-phenylene bis(1,3-dioxo-1,3-dihydroisobenzofuran-5-carboxylate); benzene-1,4-diyl bis(1,3-dioxo-1,3-dihydro-2-benzofuran-5-carboxylate); TAHQ; p-phenylenebis(trimellitate anhydride))

IUPAC Name

[4-(1,3-dioxo-2-benzofuran-5-carbonyl)oxyphenyl] 1,3-dioxo-2-benzofuran-5-carboxylate

Canonical SMILES

C1=CC(=CC=C1OC(=O)C2=CC3=C(C=C2)C(=O)OC3=O)OC(=O)C4=CC5=C(C=C4)C(=O)OC5=O

InChI

InChI=1S/C24H10O10/c25-19(11-1-7-15-17(9-11)23(29)33-21(15)27)31-13-3-5-14(6-4-13)32-20(26)12-2-8-16-18(10-12)24(30)34-22(16)28/h1-10H

InChI Key

CXISKMDTEFIGTG-UHFFFAOYSA-N

Boiling Point

757.9±55.0 °C at 760 mmHg

Melting Point

255°C

Purity

>95.0%(T)

Density

1.622±0.06 g/cm3

Appearance

White to Light Yellow Powder

Computed Properties

XLogP3

3.5

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

458.02739651 g/mol

Monoisotopic Mass

458.02739651 g/mol

Topological Polar Surface Area

139Å²

Heavy Atom Count

Formal Charge

Complexity

843

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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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1,4-Phenylene Bis(anhydrotrimellitate)

Product Information

Computed Properties

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