chlorodimethyl(pentafluorophenyl)silane

• ChemBase ID: 12059
• Molecular Formular: C8H6ClF5Si
• Molecular Mass: 260.663756
• Monoisotopic Mass: 259.9847455
• SMILES: c1(c(c(c(c(c1F)F)F)F)F)[Si](C)(C)Cl
• Canonical SMILES: Fc1c(F)c(F)c(c(c1F)[Si](Cl)(C)C)F
• InChI: InChI=1S/C8H6ClF5Si/c1-15(2,9)8-6(13)4(11)3(10)5(12)7(8)14/h1-2H3
• InChIKey: PQRFRTCWNCVQHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: chlorodimethyl(pentafluorophenyl)silane
• IUPAC Traditional name: chlorodimethyl(pentafluorophenyl)silane
• Synonyms: Pentafluorophenyldimethylchlorosilane; (Pentafluorophenyl)dimethylchlorosilane; Chlorodimethyl(pentafluorophenyl)silane; (Pentafluorophenyl)dimethylsilyl chloride; (Perfluorophenyl)dimethylsilyl chloride; Flophemesyl chloride; (Chloro)(perfluorophenyl)dimethylsilane 98%; Pentafluorophenyldimethylsilyl chloride; (五氟苯基)二甲基氯硅烷; 二甲基五氟苯基氯硅烷; 氯二甲基(五氟苯基)硅烷

Database IDs

• CAS Number: 20082-71-7
• EC Number: 243-506-9
• MDL Number: MFCD00000500
• Beilstein Number: 2858407
• PubChem SID: 24887047; 160975366
• PubChem CID: 88361

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.0314
• LogD (pH = 7.4): 3.0314
• Log P: 3.0314
• Molar Refractivity: 44.2528 cm^3
• Polarizability: 17.890617 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 78-81°C/10mm; 88-90 °C/10 mmHg(lit.); 88-90°C/10mm
• Flash Point: 167 °F; 203 °F; 75 °C; 95 °C; 95°C; 95°C(203°F)
• Density: 1.381; 1.384; 1.384 g/mL at 25 °C(lit.)
• Refractive Index: 1.4470; 1.448; n20/D 1.448; n20/D 1.448(lit.)

Safety Information

• Storage Warning: Corrosive/Moisture Sensitive/Store under Argon; FLAMMABLE, CORROSIVE; Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: 2987; UN2987
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 34; 34-37
• Safety Statements: 23-26-36/37/39-45; 26-36/37/39-45
• TSCA Listed: false; 是
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; 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 2987 8/PG 2

Product Information

• Purity: ≥95.0%; ≥95.0% (GC); 96%; 97%
• Grade: for GC derivatization
• Linear Formula: C6F5Si(CH3)2Cl

DETAILS

Sigma Aldrich - 226459

Packaging
1 g in ampule

Sigma Aldrich - 76750

Other Notes
Extremely sensitive derivatizing agent for the analysis of sterols and lower aliphatic alcohols by electron capture gas chromatography1,2,3
Packaging
5 mL in glass bottle

REFERENCES

• GC reagent for detection of sterols at low concentration as flophemesyl derivatives, readily detected by electron capture: J. Chromat., 89, 225 (1974); 104, 351 (1975); 161, 111 (1978); Org. Mass Spectrom., 11, 671 (1978).