trichloro(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl)silane

• ChemBase ID: 100436
• Molecular Formular: C12H4Cl3F21Si
• Molecular Mass: 681.5711272
• Monoisotopic Mass: 679.88125232
• SMILES: [Si](CCC(C(F)(F)C(F)(F)C(F)(F)C(C(F)(F)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(Cl)(Cl)Cl
• Canonical SMILES: Cl[Si](CCC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(Cl)Cl
• InChI: InChI=1S/C12H4Cl3F21Si/c13-37(14,15)2-1-3(16,17)4(18,19)5(20,21)6(22,23)7(24,25)8(26,27)9(28,29)10(30,31)11(32,33)12(34,35)36/h1-2H2
• InChIKey: ZFUVZJADECZZMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trichloro(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl)silane
• IUPAC Traditional name: trichloro(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl)silane
• Synonyms: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Heneicosafluorododecyltrichlorosilane; 1H,1H,2H,2H-Perfluorododecyltrichlorosilane; Henicosafluorododecyltrichlorosilane; 1-[2-(Trichlorosilyl)ethyl]perfluorodecane; [2-(Perfluorodec-1-yl)ethyl]trichlorosilane 97%; 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-二十一氟十二烷基三氯硅烷; 1H,1H,2H,2H-全氟十二烷基三氯硅烷

Database IDs

• CAS Number: 102488-49-3
• MDL Number: MFCD07368770
• PubChem SID: 162086540
• PubChem CID: 2782914

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 10.6574
• LogD (pH = 7.4): 10.6574
• Log P: 10.6574
• Molar Refractivity: 75.7719 cm^3
• Polarizability: 31.551668 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 50-55 °C; 50-55°C
• Boiling Point: 113-114°C/4mm
• Flash Point: >110 °C; >110°C; >230 °F

Safety Information

• Storage Warning: Corrosive/Harmful/Moisture Sensitive/Store under Argon
• European Hazard Symbols: Corrosive (C)
• German water hazard class: 3
• Risk Statements: 14-34
• Safety Statements: 22-26-27-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Supplemental Hazard Statements: Reacts violently with water.

Product Information

• Purity: 97%
• Linear Formula: CF3(CF2)9CH2CH2SiCl3

DETAILS

Sigma Aldrich - 729965

Packaging
1, 5 g in glass bottle