Terephthalic-carboxy-13C2 acid

Base Information

• Chemical Name: Terephthalic-carboxy-13C2 acid
• CAS No.: 121191-53-5
• Molecular Formula: C8H6 O4
• Molecular Weight: 168.15
• European Community (EC) Number: 693-236-4
• DSSTox Substance ID: DTXSID40583983
• Wikidata: Q82475604
• Mol file: 121191-53-5.mol

Synonyms:121191-53-5;Terephthalic acid-2,2'-13C2;TEREPHTHALIC-CARBOXY-13C2 ACID;1,4-Benzenedicarboxylic acid-carboxyl-13C2;CID 16213482;DTXSID40583983;Benzene-1,4-(~13~C_2_)dicarboxylic acid;Terephthalic acid-2,2'-13C2, 99 atom % 13C;J-004457

Chemical Property of Terephthalic-carboxy-13C2 acid

Chemical Property:

• Melting Point: >300 °C(lit.)
• Refractive Index: 1.617
• PSA: 74.60000
• Density: 1.451g/cm³
• LogP: 1.08300
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 168.03331834
• Heavy Atom Count: 12
• Complexity: 169

Purity/Quality:

98%min ^*data from raw suppliers

Terephthalic acid-2,2′-13C2 99 atom % ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)O)C(=O)O
• Isomeric SMILES: C1=CC(=CC=C1[13C](=O)O)[13C](=O)O
• Uses: Terephthalic Acid-alpha,alpha-13C2 (CAS# 121191-53-5) is a useful isotopically labeled research compound.

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