4-(trifluoro-λ4-sulfanyl)morpholine

• ChemBase ID: 238476
• Molecular Formular: C4H8F3NOS
• Molecular Mass: 175.1726296
• Monoisotopic Mass: 175.02786954
• SMILES: S(N1CCOCC1)(F)(F)F
• Canonical SMILES: FS(N1CCOCC1)(F)F
• InChI: InChI=1S/C4H8F3NOS/c5-10(6,7)8-1-3-9-4-2-8/h1-4H2
• InChIKey: UFXIRMVZNARBDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(trifluoro-λ^4-sulfanyl)morpholine
• IUPAC Traditional name: 4-(trifluoro-λ^4-sulfanyl)morpholine
• Synonyms: Morph-DAST; Morpholinosulfur trifluoride; 4-Morpholinylsulfur trifluoride; 4-(trifluoro-$l^{4}-sulfanyl)morpholine; 三氟硫化吗啉

Database IDs

• CAS Number: 51010-74-3
• MDL Number: MFCD00037057
• Beilstein Number: 606224
• PubChem SID: 164294386
• PubChem CID: 2733258

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.07587422
• LogD (pH = 7.4): 0.07587422
• Log P: 0.07587422
• Molar Refractivity: 33.2276 cm^3
• Polarizability: 12.967629 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 41-42°C/0.5mm
• Flash Point: 76°C(168°F)
• Density: 1.436
• Refractive Index: 1.4545
• Hydrophobicity(logP): -0.09

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: UN3265
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 14-34
• Safety Statements: 8-26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318-H227
• GHS Precautionary statements: P280-P305+P351+P338-P309-P310-P402

Product Information

• Purity: 95%

REFERENCES

• Nuleophilic fluorinating agent with greater thermal stability than Diethylaminosulfur trifluoride, A11992: J. Fluorine Chem., 42, 137 (1989).