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Terephthalic acid-[2,2'-13C2]

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General Information
Catalog: BLP-010086
CAS: 121191-53-5
Molecular Formula: C6[13C]2H6O4
Molecular Weight: 168.12

Chemical Structure

Description	Terephthalic acid-[2,2'-13C2] is an isotope form of Terephthalic Acid. Terephthalic acid is used primarily in the production of polyethylene terephthalate polymer for the fabrication of polyester fibers and films.
Synonyms	1,4-Benzenedicarboxylic acid-carboxyl-13C2; Terephthalic Acid-α,α-13C2
IUPAC Name	terephthalic acid
Related CAS	100-21-0 (unlabelled)
Isomeric SMILES	C1=CC(=CC=C1[13C](=O)O)[13C](=O)O
Canonical SMILES	C1=CC(=CC=C1C(=O)O)C(=O)O
InChI	InChI=1S/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12)/i7+1,8+1
InChI Key	KKEYFWRCBNTPAC-BFGUONQLSA-N
Melting Point	>300°C (lit.)
Purity	99% atom 13C
Density	1.451g/cm3
Storage	Store at RT