3,3,4,4,4-Pentafluorobutan-1-ol

Base Information

• Chemical Name: 3,3,4,4,4-Pentafluorobutan-1-ol
• CAS No.: 54949-74-5
• Molecular Formula: C4H5F5O
• Molecular Weight: 164.075
• Hs Code.: 2905599890
• European Community (EC) Number: 259-405-8
• DSSTox Substance ID: DTXSID6068985
• Nikkaji Number: J326.709A
• Wikidata: Q81985340
• ChEMBL ID: CHEMBL4541114
• Mol file: 54949-74-5.mol

Synonyms:3,3,4,4,4-Pentafluorobutan-1-ol;54949-74-5;3,3,4,4,4-pentafluorobutanol-1;2:2 fluorotelomer alcohol;3,3,4,4,4-pentafluoro-1-Butanol;1-Butanol, 3,3,4,4,4-pentafluoro-;EINECS 259-405-8;1,1,2,2-Tetrahydroperfluoro-1-butanol;SCHEMBL448711;2-(Perfluoroethyl)ethan-1-ol;2:2 FTOH;CHEMBL4541114;DTXSID6068985;3,3,4,4,4-pentafluorobutanol;MFCD03424479;AKOS006228243;AT33177;FS-4103;2-OXO-1H-PYRROLE-3-ACETICACID;FT-0676867;EN300-207928;A830420

Chemical Property of 3,3,4,4,4-Pentafluorobutan-1-ol

Chemical Property:

• Refractive Index: 1.315
• Boiling Point: 69.7 °C at 760 mmHg
• PKA: 14.11±0.10(Predicted)
• PSA: 20.23000
• Density: 1.374 g/cm³
• LogP: 1.56640
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 164.02605559
• Heavy Atom Count: 10
• Complexity: 107

Purity/Quality:

>=98% ^*data from raw suppliers

3,3,4,4,4-Pentafluorobutan-1-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F
• Hazard Codes: F
• Statements: 10
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CO)C(C(F)(F)F)(F)F
• Uses: 3,3,4,4,4-Pentafluorobutan-1-ol is used in the synthesis of dialkyl fluoroalkyl phosphates.