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1071125-59-1

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1071125-59-1 Structure

1071125-59-1 Structure
IdentificationBack Directory
[Name]

4,4',4''-(benzene-1,3,5-triyltris(oxy))tribenzoic acid
[CAS]

1071125-59-1
[Synonyms]

1,3,5-Tri(4-carboxyphenoxy)benzene
4,4',4''-(benzene-1,3,5-triyltris(oxy))tribenzoic acid
4,4',4''-[1,3,5-benzenetriyltris(oxy)]tris-benzoic acid
Benzoic acid, 4,4',4''-[1,3,5-benzenetriyltris(oxy)]tris-
4,4',4''-(benzene-1,3,5-triyltris(methylene))tribenzoic acid
C27H18O9 0 4,4',4''-(benzene-1,3,5-triyltris(oxy))tribenzoic acid
[Molecular Formula]

C27H18O9
[MDL Number]

MFCD30475486
[MOL File]

1071125-59-1.mol
[Molecular Weight]

486.43
Chemical PropertiesBack Directory
[Melting point ]

343.2 °C(Solv: ethanol (64-17-5); water (7732-18-5))
[Boiling point ]

709.9±60.0 °C(Predicted)
[density ]

1.435±0.06 g/cm3(Predicted)
[storage temp. ]

Storage temp. 2-8°C
[pka]

3.72±0.10(Predicted)
[Appearance]

White to off-white Solid
[InChIKey]

PNPPEOGLIXXLAG-UHFFFAOYSA-N
[SMILES]

C1(OC2=CC=C(C=C2)C(O)=O)=CC(OC2=CC=C(C=C2)C(O)=O)=CC(OC2=CC=C(C=C2)C(O)=O)=C1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P280-P301+P312-P302+P352-P305+P351+P338
Hazard InformationBack Directory
[Uses]

4,4',4''-(Benzene-1,3,5-triyltris(oxy))tribenzoic acid is used as a ligand in the synthesis of MOF materials, such as JUC-113;437-MOF.
Spectrum DetailBack Directory
[Spectrum Detail]

4,4',4''-(benzene-1,3,5-triyltris(oxy))tribenzoic acid(1071125-59-1)1HNMR
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