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

• ChemBase ID: 98813
• Molecular Formular: C10H10ClF13Si
• Molecular Mass: 440.7041416
• Monoisotopic Mass: 440.00327139
• SMILES: FC(F)(C(C(CC[Si](C)(C)Cl)(F)F)(F)F)C(C(C(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)C
• InChI: InChI=1S/C10H10ClF13Si/c1-25(2,11)4-3-5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)24/h3-4H2,1-2H3
• InChIKey: AKYGPHVLITVSJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: chlorodimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
• IUPAC Traditional name: chlorodimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
• Synonyms: 1H,1H,2H,2H-Perfluorooctyldimethylchlorosilane 97%; Chlorodimethyl-1H,1H,2H,2H-perfluorooctylsilane; 1H,1H,2H,2H-Perfluorooctyldimethylchlorosilane; 1H,1H,2H,2H-全氟辛基二甲基氯硅烷

Database IDs

• CAS Number: 102488-47-1
• EC Number: 000-000-0
• MDL Number: MFCD00042359
• Beilstein Number: 7040835
• PubChem SID: 162085177
• PubChem CID: 145382

CALCULATED PROPERTIES

• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.3672
• LogD (pH = 7.4): 7.3672
• Log P: 7.3672
• Molar Refractivity: 56.6907 cm^3
• Polarizability: 23.3232 Å^3

PROPERTIES

Physical Property

• Apperance: Liquid
• Boiling Point: 189-191°C; 76°C/12mm; 76°C/12mm
• Flash Point: 52°C; 52°C(125°F); 82°C(180°F)
• Density: 1.461
• Refractive Index: 1.3453

Safety Information

• Storage Warning: Flammable/Corrosive/Moisture sensitive; Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: UN2924; UN2987
• Hazard Class: 3; 8
• Packing Group: II; III
• Risk Statements: 10-34; 34
• Safety Statements: 20-23-26-36/37/39-45; 26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05
• GHS Hazard statements: H314-H318-H226; H314-H318-H227
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P280-P305+P351+P338-P309-P310

Product Information

• Purity: 95%; 97%