Deuterated water;1,1,1,3,3,3-hexafluoropropan-2-one

Base Information

• Chemical Name: Deuterated water;1,1,1,3,3,3-hexafluoropropan-2-one
• CAS No.: 72301-81-6
• Molecular Formula: C3D2F6O2
• Molecular Weight: 186.049522756
• European Community (EC) Number: 677-890-8,695-459-2
• DSSTox Substance ID: DTXSID90584208
• Mol file: 72301-81-6.mol

Synonyms:109640-39-3;hexafluoroacetonedeuterate;72301-81-6;deuterated water;1,1,1,3,3,3-hexafluoropropan-2-one;CID 16216984;Hexafluoracetondeuterat;Hexafluoroacetone trideuterate;DTXSID90584208;MFCD09953659;AKOS015903893;Hexafluoroacetone deuterate, >=99.5 atom % D;Hexafluoropropan-2-one--(~2~H_2_)water (1/1);2-Propanone,1,1,1,3,3,3-hexafluoro-,hydrate(5:8);2-Propanone, 1,1,1,3,3,3-hexafluoro-,?hydrate-d2?(1:1)

Chemical Property of Deuterated water;1,1,1,3,3,3-hexafluoropropan-2-one

Chemical Property:

• Refractive Index: n20/D 1.3(lit.)
• Boiling Point: 104-108℃(lit.)
• PSA: 26.30000
• LogP: 1.61580
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 0
• Exact Mass: 186.00845177
• Heavy Atom Count: 11
• Complexity: 124

Purity/Quality:

99% ^*data from raw suppliers

Hexafluoroacetone deuterate ≥99.5 atom % D ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 60-14-23/24/25-36/37/38-63
• Safety Statements: 53-26-28-36-45-7/9

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(=O)(C(F)(F)F)C(F)(F)F.O
• Isomeric SMILES: [2H]O[2H].C(=O)(C(F)(F)F)C(F)(F)F
• Uses: Hexafluoroacetone deuterate (deuterated aqueous hexafluoroacetone, HFAD) may be used as NMR solvent to record 13C-NMR spectra of aliphatic polyamides.