(E)-(trimethylsilyl 2,2,2-trifluoro-N-(trimethylsilyl)ethenecarboximidate)

• ChemBase ID: 9828
• Molecular Formular: C8H18F3NOSi2
• Molecular Mass: 257.4008296
• Monoisotopic Mass: 257.08790193
• SMILES: O(/C(=N/[Si](C)(C)C)/C(F)(F)F)[Si](C)(C)C
• Canonical SMILES: C[Si](O/C(=N/[Si](C)(C)C)/C(F)(F)F)(C)C
• InChI: InChI=1S/C8H18F3NOSi2/c1-14(2,3)12-7(8(9,10)11)13-15(4,5)6/h1-6H3/b12-7+
• InChIKey: XCOBLONWWXQEBS-KPKJPENVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (E)-(trimethylsilyl 2,2,2-trifluoro-N-(trimethylsilyl)ethenecarboximidate)
• IUPAC Traditional name: bstfa
• Synonyms: N,O-Bis(trimethylsilyl)trifluoroacetamide; BSTFA + TMCS; N,O-Bis(trimethylsilyl)trifluoroacetamide with trimethylchlorosilane; N,O-Bis(trimethylsilyl)trifluoroacetamide; BSTFA; BSTFA; N,O-双(三甲基硅)三氟乙酰胺(含三甲基氯硅烷); N,O-双(三甲基硅基)三氟乙酰胺

Database IDs

• CAS Number: 25561-30-2
• EC Number: 247-103-9
• MDL Number: MFCD00008269
• Beilstein Number: 2050024
• PubChem SID: 160973135; 24900305; 24900370
• PubChem CID: 94358; 5366669
• Chemspider ID: 4518443
• Wikipedia Title: BSTFA

CALCULATED PROPERTIES

• Log P: 4.3087
• Molar Refractivity: 48.664 cm^3
• Polarizability: 22.159882 Å^3
• Polar Surface Area: 21.59 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.308185
• LogD (pH = 7.4): 4.3086934

PROPERTIES

Physical Property

• Apperance: colourless
• Melting Point: -10°C
• Boiling Point: 45-50 °C/14 mmHg(lit.); 45-50°C/15mm
• Flash Point: 24 °C; 42.8 °F; 6 °C; 75.2 °F
• Density: 0,96; 0.969 g/mL at 25 °C(lit.); 0.97 g/mL(lit.); 0.971
• Refractive Index: 1.3830; n20/D 1.384(lit.)

Safety Information

• Storage Warning: KEEP COLD, FLAMMABLE, CORROSIVE
• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2924
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2; 3
• Risk Statements: 10-34; 11-34
• Safety Statements: 16-26-36/37/39-45
• TSCA Listed: false
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H314; H226-H314
• GHS Precautionary statements: P210-P280-P305 + P351 + P338-P310; 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 2924 3/PG 2; UN 2924 3/PG 3
• Storage Temperature: 2-8°C

Product Information

• Purity: 98%
• Grade: for GC derivatization
• Packaging: ampule of 1 mL
• Suitability: suitable for silylation
• Contains: 1% trimethylchlorosilane as additive
• Quality: with 1% trimethylchlorosilane

DETAILS

Sigma Aldrich - T6381

Other Notes
甲硅烷基团的位置尚未明确确定。表示为 N,N 和 N,O 两种。
包装
Sealed ampules contain 1 ml. Gram sizes are in screw-cap bottles.