dimethyl(trifluoro-$l^{4}-sulfanyl)amine

• ChemBase ID: 95152
• Molecular Formular: C2H6F3NS
• Molecular Mass: 133.1359496
• Monoisotopic Mass: 133.01730486
• SMILES: N(C)(C)S(F)(F)F
• Canonical SMILES: CN(S(F)(F)F)C
• InChI: InChI=1S/C2H6F3NS/c1-6(2)7(3,4)5/h1-2H3
• InChIKey: SAVQQRYWWAGSQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl(trifluoro-$l^{4}-sulfanyl)amine; dimethyl(trifluoro-λ^4-sulfanyl)amine
• IUPAC Traditional name: dimethyl(trifluoro-$l^{4}-sulfanyl)amine; dimethyl(trifluoro-λ^4-sulfanyl)amine
• Synonyms: Methyl DAST; Dimethylaminosulphur trifluoride 97%; (Dimethylamino)sulfur trifluoride; 甲基 DAST; 二甲氨基三氟化硫

Database IDs

• CAS Number: 3880-03-3
• MDL Number: MFCD00009900
• Beilstein Number: 1901089
• PubChem SID: 162081802; 24864574; 24854921
• PubChem CID: 123203

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.29437467
• LogD (pH = 7.4): 0.29437467
• Log P: 0.29437467
• Molar Refractivity: 24.1531 cm^3
• Polarizability: 9.302145 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -78.7 °C(lit.)
• Boiling Point: 117°C; 117.5 °C(lit.)
• Flash Point: 48.2 °F; 9 °C
• Density: 1.364; 1.364 g/mL at 25 °C(lit.)

Safety Information

• Storage Warning: Corrosive
• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2920
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 1
• Risk Statements: 11-20/21/22-35
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H302-H312-H314-H332
• GHS Precautionary statements: P210-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2920 8/PG 1
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥95% (T)
• Grade: technical
• Quality: packed in PTFE bottles
• Linear Formula: (CH3)2NSF3

DETAILS

Sigma Aldrich - 248215

Packaging
5, 25 g in poly bottle
Application
Fluorinating Agent used in the fluorination of compounds such as
• Alchols, aldehydes and ketones1
• Fluorinated Podophyllotoxin derivatives2
• Protected glycosyl fluorides from thioglycosides3

Sigma Aldrich - 39415

Other Notes
Methyl DAST is similar to DAST a mild fluorinating agent. It transforms alcohols into fluorides and aldehydes or ketones into gem-difluorides1,2