2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro(1,2-13C2)octanoic acid

Base Information

• Chemical Name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro(1,2-13C2)octanoic acid
• CAS No.: 864071-08-9
• Molecular Formula: C8H F15 O2
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID80896968
• Nikkaji Number: J2.201.550H
• Wikidata: Q81987873
• Mol file: 864071-08-9.mol

Synonyms:864071-08-9;DTXSID80896968;Perfluorooctanoic acid-1,2-13C2;Perfluoro-n-(1,2-13C2)octanoic acid;NS00111853

Chemical Property of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro(1,2-13C2)octanoic acid

Chemical Property:

• XLogP3: 4.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 6
• Exact Mass: 415.9804114
• Heavy Atom Count: 25
• Complexity: 530

Purity/Quality:

97% ^*data from raw suppliers

PERFLUOROOCTANOIC ACID-13C2 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
• Isomeric SMILES: [13C](=O)([13C](C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
• Uses: A labelled perfluoroalkyl isotopomeric compound (Perfluorooctanoic acid-13C2) Labelled Perfluorooctanoic Acid (P286500). Perfluorooctanoic acid is a perfluoroalkyl isotopomeric compound. Perfluorooctanoic acid (PFOA) is one of the most commonly used perfluorinated compounds. Being a persistent environmental pollutant, it can accumulate in human tissues via various exposure routes. PFOA may interfere in a toxic fashion on the immune system, liver, development, and endocrine systems.