dichloro(methyl)(3,3,3-trifluoropropyl)silane

• ChemBase ID: 99795
• Molecular Formular: C4H7Cl2F3Si
• Molecular Mass: 211.0850896
• Monoisotopic Mass: 209.96461678
• SMILES: [Si](Cl)(Cl)(CCC(F)(F)F)C
• Canonical SMILES: FC(CC[Si](Cl)(Cl)C)(F)F
• InChI: InChI=1S/C4H7Cl2F3Si/c1-10(5,6)3-2-4(7,8)9/h2-3H2,1H3
• InChIKey: OHABWQNEJUUFAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dichloro(methyl)(3,3,3-trifluoropropyl)silane
• IUPAC Traditional name: dichloro(methyl)(3,3,3-trifluoropropyl)silane
• Synonyms: Dichloromethyl(3,3,3-trifluoropropyl)silane; (3,3,3-Trifluoropropyl)dichloromethylsilane; (3,3,3-Trifluoropropyl)methyldichlorosilane; (3,3,3-Trifluoropropyl)dichloromethylsilane 97%; (3,3,3-三氟丙基)甲基二氯硅烷

Database IDs

• CAS Number: 675-62-7
• EC Number: 211-623-4
• MDL Number: MFCD00039294
• Beilstein Number: 1744964
• PubChem SID: 162086043
• PubChem CID: 12666

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.4711
• LogD (pH = 7.4): 2.4711
• Log P: 2.4711
• Molar Refractivity: 33.9829 cm^3
• Polarizability: 14.474379 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 121-122°C; 121-122°C
• Flash Point: 15°C; 15°C(59°F)
• Density: 1.261
• Refractive Index: 1.385; 1.3850

Safety Information

• Storage Warning: Highly Flammable/Corrosive/Harmful/Moisture Sensitive/Store under Argon/Keep Cold; Moisture Sensitive
• RTECS: VV3531500
• European Hazard Symbols: Corrosive (C); Flammable (F); X
• UN Number: UN2985
• Hazard Class: 3
• Packing Group: II
• Risk Statements: 11-20-34
• Safety Statements: 16-23-26-33-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Hazard statements: H225-H314-H318-H332
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Purity: 97%