4-(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctylthio)phenol

Base Information

• Chemical Name: 4-(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctylthio)phenol
• CAS No.: 892155-19-0
• Molecular Formula: C14H9F13OS
• Molecular Weight: 472.26
• European Community (EC) Number: 693-561-1
• DSSTox Substance ID: DTXSID10583713
• Wikidata: Q82475317
• Mol file: 892155-19-0.mol

Synonyms:892155-19-0;4-(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctylthio)phenol;4-(1H,1H,2H,2H-Perfluorooctylthio)phenol;4-((3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl)thio)phenol;4-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylsulfanyl)phenol;4-[(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl)sulfanyl]phenol;SCHEMBL811000;DTXSID10583713;CFPZGZWDWLUKFW-UHFFFAOYSA-N;MFCD04973818;BS-48374;NS00109177;E75527;4-(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctylthio)phenol, >=97%

Chemical Property of 4-(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctylthio)phenol

Chemical Property:

• PSA: 45.53000
• LogP: 6.61320
• XLogP3: 6.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 8
• Exact Mass: 472.0166522
• Heavy Atom Count: 29
• Complexity: 552

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctylthio)phenol ≥97% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1O)SCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F