dichloro(methyl)(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane

• ChemBase ID: 10334
• Molecular Formular: C9H7Cl2F13Si
• Molecular Mass: 461.1226216
• Monoisotopic Mass: 459.94864898
• SMILES: FC(C(C(C(C(C(F)(F)CC[Si](Cl)(C)Cl)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: C[Si](CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(Cl)Cl
• InChI: InChI=1S/C9H7Cl2F13Si/c1-25(10,11)3-2-4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)24/h2-3H2,1H3
• InChIKey: VBDMVWQNRXVEGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dichloro(methyl)(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
• IUPAC Traditional name: dichloro(methyl)(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
• Synonyms: Dichloromethyl-1H,1H,2H,2H-perfluorooctylsilane; 1H,1H,2H,2H-Perfluorooctylmethyldichlorosilane; 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluorooctylmethyldichlorosilane; 1H,1H,2H,2H-Perfluorooctylmethyldichlorosilane 97%; (1H,1H,2H,2H-Perfluorooctyl)methyldichlorosilane; 1H,1H,2H,2H-全氟辛基甲基二氯硅烷

Database IDs

• CAS Number: 73609-36-6
• EC Number: 277-551-0
• MDL Number: MFCD00042360
• Beilstein Number: 6153667
• PubChem SID: 160973641
• PubChem CID: 123573

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.6436
• LogD (pH = 7.4): 6.6436
• Log P: 6.6436
• Molar Refractivity: 57.3229 cm^3
• Polarizability: 23.641836 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 189-190°C; 76°C/12mm
• Flash Point: 51°C; 51°C(123°F)
• Density: 1.55; 1.550
• Refractive Index: 1.35; 1.3500

Safety Information

• Storage Warning: Corrosive/Flammable; FLAMMABLE, CORROSIVE; Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: UN2920
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 10-34
• Safety Statements: 20-26-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS02; GHS05
• GHS Hazard statements: H314-H318-H226
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Purity: 97%