ChemicalBook--->CAS DataBase List--->957014-38-9

957014-38-9

957014-38-9 Structure

957014-38-9 Structure
IdentificationBack Directory
[Name]

Diphenylethyne-3,3',5,5'-tetracarboxylic acid
[CAS]

957014-38-9
[Synonyms]

5,5'-(Ethyne-1,2-diyl)diisophthalic acid
Diphenylethyne-3,3',5,5'-tetracarboxylic acid
1,1′-ethynebenzene-3,3′,5,5,′-tetracarboxylic acid
1,3-Benzenedicarboxylic acid, 5,5'-(1,2-ethynediyl)bis-
[Molecular Formula]

C18H10O8
[MOL File]

957014-38-9.mol
[Molecular Weight]

354.27
Chemical PropertiesBack Directory
[Melting point ]

>350 °C
[Boiling point ]

783.292±60.00 °C(Press: 760.00 Torr)(predicted)
[density ]

1.708±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
[storage temp. ]

Store at room temperature
[pka]

2.936±0.10(predicted)
[Appearance]

Off-white to gray Solid
[InChI]

InChI=1S/C18H10O8/c19-15(20)11-3-9(4-12(7-11)16(21)22)1-2-10-5-13(17(23)24)8-14(6-10)18(25)26/h3-8H,(H,19,20)(H,21,22)(H,23,24)(H,25,26)
[InChIKey]

YFRIPYPPJIRELM-UHFFFAOYSA-N
[SMILES]

C(C1C=C(C(O)=O)C=C(C(O)=O)C=1)#CC1C=C(C(O)=O)C=C(C(O)=O)C=1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P280-P305+P351+P338
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

Diphenylethyne-3,3',5,5'-tetracarboxylic acid is used as a ligand in the synthesis of MOF materials: PCN-16; IZE-1/2.
Spectrum DetailBack Directory
[Spectrum Detail]

Diphenylethyne-3,3',5,5'-tetracarboxylic acid(957014-38-9)1HNMR
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