1,3,5-Triscarboxyphenylethynylbenzene - 95%, high purity , CAS No.205383-17-1

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Item Number

T168427

Grouped product items
SKU	Size	Availability	Price
T168427-250mg	250mg	3	$178.90
T168427-1g	1g	5	$362.90
T168427-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$1,270.90

Discover 1,3,5-Triscarboxyphenylethynylbenzene by Aladdin Scientific in 95% for only $178.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	205383-17-1 \| 4,4',4''-(Benzene-1,3,5-triyltris(ethyne-2,1-diyl))tribenzoic acid \| 4-[2-[3,5-bis[2-(4-carboxyphenyl)ethynyl]phenyl]ethynyl]benzoic acid \| Benzoic acid, 4,4',4''-(1,3,5-benzenetriyltri-2,1-ethynediyl)tris- \| 1,3,5-Tris(4-carboxyphenylethynyl)benzen
Specifications & Purity	≥95%
Storage Temp	Argon charged
Shipped In	Normal

Names and Identifiers

Pubchem Sid	488202087
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488202087
IUPAC Name	4-[2-[3,5-bis[2-(4-carboxyphenyl)ethynyl]phenyl]ethynyl]benzoic acid
INCHI	InChI=1S/C33H18O6/c34-31(35)28-13-7-22(8-14-28)1-4-25-19-26(5-2-23-9-15-29(16-10-23)32(36)37)21-27(20-25)6-3-24-11-17-30(18-12-24)33(38)39/h7-21H,(H,34,35)(H,36,37)(H,38,39)
InChi Key	NIJMZBWVSRWZFZ-UHFFFAOYSA-N
Canonical SMILES	C1=CC(=CC=C1C#CC2=CC(=CC(=C2)C#CC3=CC=C(C=C3)C(=O)O)C#CC4=CC=C(C=C4)C(=O)O)C(=O)O
Isomeric SMILES	C1=CC(=CC=C1C#CC2=CC(=CC(=C2)C#CC3=CC=C(C=C3)C(=O)O)C#CC4=CC=C(C=C4)C(=O)O)C(=O)O
PubChem CID	67068300
Molecular Weight	510.49

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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5 results found

Lot Number	Certificate Type	Date	Item
L2212164	Certificate of Analysis	Nov 07, 2022	T168427
E2308054	Certificate of Analysis	Nov 07, 2022	T168427
L2212165	Certificate of Analysis	Nov 07, 2022	T168427
L2212166	Certificate of Analysis	Nov 07, 2022	T168427
L2212168	Certificate of Analysis	Nov 07, 2022	T168427

Chemical and Physical Properties

Melt Point(°C)	222-223(decomposition)
Molecular Weight	510.500 g/mol
XLogP3	6.600
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Exact Mass	510.11 Da
Monoisotopic Mass	510.11 Da
Topological Polar Surface Area	112.000 Å²
Heavy Atom Count	39
Formal Charge	0
Complexity	950.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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Basic Description