4,4',4''-(benzene-1,3,5-triyltris(ethyne-2,1-diyl))tribenzoic acid

Modify Date: 2024-01-02 12:29:09

4,4',4''-(benzene-1,3,5-triyltris(ethyne-2,1-diyl))tribenzoic acid Structure
4,4',4''-(benzene-1,3,5-triyltris(ethyne-2,1-diyl))tribenzoic acid structure
Common Name 4,4',4''-(benzene-1,3,5-triyltris(ethyne-2,1-diyl))tribenzoic acid
CAS Number 205383-17-1 Molecular Weight 510.49200
Density 1.48±0.1 g/ml(Predicted) Boiling Point 827.1±65.0℃(Predicted)
Molecular Formula C33H18O6 Melting Point 352℃
MSDS Chinese USA Flash Point N/A

 Names

Name 4-[2-[3,5-bis[2-(4-carboxyphenyl)ethynyl]phenyl]ethynyl]benzoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.48±0.1 g/ml(Predicted)
Boiling Point 827.1±65.0℃(Predicted)
Melting Point 352℃
Molecular Formula C33H18O6
Molecular Weight 510.49200
Exact Mass 510.11000
PSA 111.90000
LogP 4.98060

 Safety Information

Hazard Codes Xn
RIDADR NONH for all modes of transport
WGK Germany 3

 Synthetic Route

~94%

4,4',4''-(benzene-1,3,5-triyltris(ethyne-2,1-diyl))tribenzoic acid Structure

4,4',4''-(benze...

CAS#:205383-17-1

Literature: THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; FOUNDATION OF SOONGSIL UNIVERSITY-INDUSTRY COOPERATION; YAGHI, Omar, M.; FURUKAWA, Hiroyasu; KIM, Jaheon; KO, Nakeun; CHOI, Sang, Beom Patent: WO2011/38208 A2, 2011 ; Location in patent: Page/Page column 33 ;

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 Synonyms

1,3,5-Triscarboxyphenylethynylbenzene
4,4',4''-(benzene-1,3,5-triyltris(ethyne-2,1-diyl))tribenzoic acid