chlorodimethyl(3,3,3-trifluoropropyl)silane

• ChemBase ID: 99794
• Molecular Formular: C5H10ClF3Si
• Molecular Mass: 190.6666096
• Monoisotopic Mass: 190.01923919
• SMILES: [Si](C)(C)(CCC(F)(F)F)Cl
• Canonical SMILES: FC(CC[Si](Cl)(C)C)(F)F
• InChI: InChI=1S/C5H10ClF3Si/c1-10(2,6)4-3-5(7,8)9/h3-4H2,1-2H3
• InChIKey: KBAZUXSLKGQRJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: chlorodimethyl(3,3,3-trifluoropropyl)silane
• IUPAC Traditional name: chlorodimethyl(3,3,3-trifluoropropyl)silane
• Synonyms: (3,3,3-Trifluoropropyl)chlorodimethylsilane 97%; Dimethyl(3,3,3-trifluoropropyl)chlorosilane; Chloro-dimethyl(3,3,3-trifluoropropyl)silane; (3,3,3-Trifluoropropyl)chlorodimethylsilane; Chlorodimethyl-3,3,3-trifluoropropylsilane; 二甲基(3,3,3-三氟丙基)氯硅烷; 氯二甲基(3,3,3-三氟丙基)硅烷; 氯二甲基-3,3,3-三氟丙基硅烷

Database IDs

• CAS Number: 1481-41-0
• EC Number: 216-039-3
• MDL Number: MFCD00053211
• Beilstein Number: 1741726
• PubChem SID: 162086042; 24866126
• PubChem CID: 73866

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.1947
• LogD (pH = 7.4): 3.1947
• Log P: 3.1947
• Molar Refractivity: 33.3507 cm^3
• Polarizability: 14.257125 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 118 °C(lit.); 118-120°C; 118-120°C
• Flash Point: 20 °C; 20°C(68°F); 68 °F
• Density: 1.105; 1.117 g/mL at 20 °C(lit.)
• Refractive Index: 1.374; 1.3750; n20/D 1.378(lit.)

Safety Information

• Storage Warning: Corrosive; Moisture Sensitive
• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2985; UN2985
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-34
• Safety Statements: 26-28-36/37/39-45; 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H314; H225-H314-H318
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; 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 2985 3/PG 2

Product Information

• Purity: ≥95.0% (GC); 96%
• Empirical Formula (Hill Notation): C5H10ClF3Si

DETAILS

Sigma Aldrich - 41715

Packaging
5 mL in glass bottle