difluorotrimethylsilanuide; tris(dimethylamino)sulfanium

• ChemBase ID: 99836
• Molecular Formular: C9H27F2N3SSi
• Molecular Mass: 275.4780864
• Monoisotopic Mass: 275.16630185
• SMILES: [Si-](C)(F)(F)(C)C.[S+](N(C)C)(N(C)C)N(C)C
• Canonical SMILES: C[Si-](F)(F)(C)C.CN([S+](N(C)C)N(C)C)C
• InChI: InChI=1S/C6H18N3S.C3H9F2Si/c1-7(2)10(8(3)4)9(5)6;1-6(2,3,4)5/h1-6H3;1-3H3/q+1;-1
• InChIKey: JMGVTLYEFSBAGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: difluorotrimethylsilanuide; tris(dimethylamino)sulfanium
• IUPAC Traditional name: difluorotrimethylsilanuide; tris(dimethylamino)sulfanium; difluorotrimethylsilanuide; tasf reagent
• Synonyms: Tris(dimethylamino)sulphur trimethylsilyl difluoride; TAS-F; Tris(dimethylamino)sulphonium difluoro(trimethyl)silicate, tech; TASF; Tris(dimethylamino)sulfur trimethylsilyl difluoride; Tris(dimethylamino)sulfonium difluorotrimethylsilicate; TASF reagent; 三(二甲氨基)硫三甲基硅基二氟化物; 三(二甲氨基)锍二氟三甲基硅酸

Database IDs

• CAS Number: 59218-87-0
• MDL Number: MFCD00012170
• Beilstein Number: 3577020
• PubChem SID: 24855064; 162086083
• PubChem CID: 9795567
• Chemspider ID: 7971333
• Wikipedia Title: TASF_reagent

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.0743773
• LogD (pH = 7.4): -2.0743773
• Log P: -2.0743773
• Molar Refractivity: 47.436 cm^3
• Polarizability: 19.794762 Å^3
• Polar Surface Area: 9.72 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Colorless solid
• Melting Point: 98-101 °C

Safety Information

• Storage Warning: Corrosive/Irritant/Moisture Sensitive/Keep Cold/Store under Argon
• European Hazard Symbols: Corrosive (C)
• UN Number: 3261
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 14-34-37
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3261 8/PG 2
• Supplemental Hazard Statements: Reacts violently with water.
• Storage Temperature: 2-8°C

Product Information

• Grade: technical grade
• Linear Formula: [(CH3)2N]3S[(CH3)3SiF2]

DETAILS

Sigma Aldrich - 250600

Other Notes
Remainder tris(dimethylamino)sulfonium bifluoride
Packaging
1, 5 g in poly bottle