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CAS Number: 50446-44-1
5'-(4-carboxyphenyl)-[1,1':3',1''-terphenyl]-4,4''-dicarboxylic acid

Structure

5'-(4-carboxyphenyl)-[1,1':3',1''-terphenyl]-4,4''-dicarboxylic acid
Name: 5'-(4-carboxyphenyl)-[1,1':3',1''-terphenyl]-4,4''-dicarboxylic acid
Synonyms:
General Information
Product Number: 50446441
CAS Number:
50446-44-1
Name:
1,3,5-Tri(4-carboxyphenyl)benzene
 [1,1':3',1''-Terphenyl]-4,4''-dicarboxylic acid, 5'-(4-carboxyphenyl)-
        Benzoic acid, 4,4',4''-s-phenenyltri- (6CI,7CI); 1,3,5-Benzenetri-p-benzoic acid; 1,3,5-Tris(4-carboxyphenyl)benzene; 4,4',4''-Benzene-1,3,5-triyltribenzoic acid; Benzene-1,3,5-tri-p-benzoic acid; Benzene-1,3,5-tribenzoic acid; Benzene-1,3,5-tris(4-benzoic acid); Benzene-1,3,5-triyltris(4-benzoic acid); Benzenetribenzoic acid 
Chemical Formula: C27H18O6
Exact Mass: 438.11
Molecular Weight: 438.43
m/z: 438.11 (100.0%), 439.11 (29.4%), 440.12 (4.2%), 440.11 (1.2%)
Elemental Analysis: C, 73.97; H, 4.14; O, 21.90
 
Deleted CAS Registry Numbers: 681812-93-1, 1303537-89-4
 
InChI: InChI=1S/C27H18O6/c28-25(29)19-7-1-16(2-8-19)22-13-23(17-3-9-20(10-4-17)
26(30)31)15-24(14-22)18-5-11-21(12-6-18)27(32)33/h1-15H,(H,28,29)(H,30,
31)(H,32,33)
InChIKey: SATWKVZGMWCXOJ-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=CC=C1C2=CC(=CC(=C2)C3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)C(=O)O)C(=O)O
 
Thermal Properties Value Condition Note
Melting Point 325-325.5 °C Solv: 1,4-dioxane (123-91-1) (7)CAS
Melting Point 318 °C   (8)CAS
Thermal Analysis See full text   (9)CAS
 

 
 

Specification

98%

References
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  9. (9) Mu, Bin; Journal of Physical Chemistry C 2011, V115(46), P22748-22754 CAPLUS
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