4,4'-(4,4'-Isopropylidenediphenoxy)bis(phthalic Anhydride)

Product Information

Molecular Formula:
C31H20O8
Molecular Weight:
520.49
Description
4,4'-(4,4'-Isopropylidenediphenoxy)bis(phthalic Anhydride) (CAS# 38103-06-9) is a useful research chemical.
Synonyms
5-[4-[2-[4-[(1,3-dioxo-5-isobenzofuranyl)oxy]phenyl]propan-2-yl]phenoxy]isobenzofuran-1,3-dione; 5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]propan-2-yl]phenoxy]-2-benzofuran-1,3-dione
IUPAC Name
5-[4-[2-[4-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]propan-2-yl]phenoxy]-2-benzofuran-1,3-dione
Canonical SMILES
CC(C)(C1=CC=C(C=C1)OC2=CC3=C(C=C2)C(=O)OC3=O)C4=CC=C(C=C4)OC5=CC6=C(C=C5)C(=O)OC6=O
InChI
InChI=1S/C31H20O8/c1-31(2,17-3-7-19(8-4-17)36-21-11-13-23-25(15-21)29(34)38-27(23)32)18-5-9-20(10-6-18)37-22-12-14-24-26(16-22)30(35)39-28(24)33/h3-16H,1-2H3
InChI Key
MQAHXEQUBNDFGI-UHFFFAOYSA-N
Boiling Point
712.3 ℃ at 760 mmHg
Melting Point
184-187 ℃
Purity
97 %
Density
1.406 g/cm3
Appearance
White to light yellow powder to crystal
LogP
6.21830

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
6.5
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
8
Rotatable Bond Count
6
Exact Mass
520.11581759 g/mol
Monoisotopic Mass
520.11581759 g/mol
Topological Polar Surface Area
105Ų
Heavy Atom Count
39
Formal Charge
0
Complexity
897
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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