trichloro(3,3,3-trifluoropropyl)silane

• ChemBase ID: 8492
• Molecular Formular: C3H4Cl3F3Si
• Molecular Mass: 231.5035696
• Monoisotopic Mass: 229.90999436
• SMILES: [Si](Cl)(Cl)(Cl)CCC(F)(F)F
• Canonical SMILES: FC(CC[Si](Cl)(Cl)Cl)(F)F
• InChI: InChI=1S/C3H4Cl3F3Si/c4-10(5,6)2-1-3(7,8)9/h1-2H2
• InChIKey: WEUBQNJHVBMUMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trichloro(3,3,3-trifluoropropyl)silane
• IUPAC Traditional name: trichloro(3,3,3-trifluoropropyl)silane
• Synonyms: (3,3,3-Trifluoropropyl)trichlorosilane 97%; 3,3,3-Trifluoropropyl-trichlorosilane; Trichloro(3,3,3-trifluoropropyl)silane; 3-(Trichlorosilyl)-1,1,1-trifluoropropane; Trichloro(3,3,3-trifluoropropyl)silane; (3,3,3-Trifluoropropyl)trichlorosilane; (3,3,3-Trifluoropropyl)trichlorosilane; 三氟丙基三氯硅烷; 三氯(3,3,3-三氟丙基)硅烷; (3,3,3-三氟丙基)三氯硅烷

Database IDs

• CAS Number: 592-09-6
• EC Number: 209-744-2
• MDL Number: MFCD00013602
• Beilstein Number: 1748876
• PubChem SID: 24868726; 160971799
• PubChem CID: 68963

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.1469
• LogD (pH = 7.4): 3.1469
• Log P: 3.1469
• Molar Refractivity: 33.7599 cm^3
• Polarizability: 14.726257 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 113-114°C; 113-114°C; 114 °C(lit.)
• Flash Point: 15°C; 15°C(59°F); 27 °C; 80.6 °F
• Density: 1.395; 1.419 g/mL at 25 °C(lit.)
• Refractive Index: 1.385; 1.386; 1.3860; n20/D 1.386(lit.)

Safety Information

• Storage Warning: Corrosive/Flammable; FLAMMABLE, CORROSIVE; Moisture Sensitive
• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2986; UN2985
• German water hazard class: 3
• Hazard Class: 3; 8
• Packing Group: 2; II
• Risk Statements: 11-14-34
• Safety Statements: 16-26-27-36/37/39-45; 26-30-36/37/39-45
• TSCA Listed: true; 是
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H314-H318; H226-H314
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-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 2986 8/PG 2
• Supplemental Hazard Statements: Reacts violently with water.

Product Information

• Purity: 97%
• Linear Formula: CF3CH2CH2SiCl3

DETAILS

Sigma Aldrich - 452807

Packaging
25 mL in glass bottle