1,3,5-Tris(4-Carboxyphenylethynyl)Benzene

Cat No:BMSPEM-0362

Description

1,3,5-Tris(4-carboxyphenylethynyl)benzene is a C3-symmetric tritopic carboxylic acid with the formula C33H18O6 and a molecular weight of 510.49, listed with the CAS number 205383-17-1. The molecule carries three 4-carboxyphenylethynyl arms on a central benzene core and melts with decomposition at 222-223 °C. Eata Battery supplies this compound at a purity of 95% or higher in 250 mg, 500 mg, 1 g and 5 g packages. It should be stored at room temperature under argon.

Datasheet

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Basic Information

Chemical Formula	C33H18O6
Molecular Weight	510.49
Storage Conditions	Store at room temperature under argon
Purity	>=95%
English Synonyms	4,4',4''-(benzene-1,3,5-triyltris(ethyne-2,1-diyl))tribenzoic acid; 1,3,5-Triscarboxyphenylethynylbenzene
Melting Point	222-223 °C (decomposition)
PubChem CID	67068300
PubChem SID	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
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
Signal Word	Warning
Hazard Statements	H302: Harmful if swallowed; H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation
Precautionary Statements	P261: Avoid breathing dust; P305+P351+P338: Rinse eyes cautiously with water if irritated
Shipping Conditions	Ships at ambient temperature
Available Package Sizes	250 mg; 500 mg; 1 g; 5 g

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