2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecanoyl chloride

• ChemBase ID: 7778
• Molecular Formular: C11HClF20O
• Molecular Mass: 564.546104
• Monoisotopic Mass: 563.93965673
• SMILES: C(C(C(C(C(C(C(C(C(C(C(=O)Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(C(C(C(C(C(C(C(C(C(=O)Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C11HClF20O/c12-1(33)3(15,16)5(19,20)7(23,24)9(27,28)11(31,32)10(29,30)8(25,26)6(21,22)4(17,18)2(13)14/h2H
• InChIKey: LFSNWCISDMSHBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecanoyl chloride
• IUPAC Traditional name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecanoyl chloride
• Synonyms: 11H-Eicosafluoroundecanoyl chloride; 11H-Perfluoroundecanoyl chloride; 11H-Perfluoroundecanoyl chloride 92%; 11H-Eicosafluoroundecanoyl chloride; 11H-全氟十一酰氯

Database IDs

• CAS Number: 2248-93-3
• EC Number: 000-000-0
• MDL Number: MFCD00042119
• PubChem SID: 160971085
• PubChem CID: 2776416

CALCULATED PROPERTIES

• Acid pKa: 19.78678
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 7.2593365
• LogD (pH = 7.4): 7.2593365
• Log P: 7.2593365
• Molar Refractivity: 58.6347 cm^3
• Polarizability: 23.57464 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 54-56°C; 54-56°C

Safety Information

• Storage Warning: Corrosive; Moisture Sensitive; MOISTURE SENSITIVE, CORROSIVE
• European Hazard Symbols: Corrosive (C)
• UN Number: UN3261
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: 92%; 97%