4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecanoyl chloride

• ChemBase ID: 152411
• Molecular Formular: C11H4ClF17O
• Molecular Mass: 510.5747144
• Monoisotopic Mass: 509.96792217
• SMILES: C(CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)Cl
• Canonical SMILES: ClC(=O)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C11H4ClF17O/c12-3(30)1-2-4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)11(27,28)29/h1-2H2
• InChIKey: QYLZAPXXSYDKKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecanoyl chloride
• IUPAC Traditional name: 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecanoyl chloride
• Synonyms: 2H,2H,3H,3H-Perfluoroundecanoyl chloride; 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecanoyl chloride; 2H,2H,3H,3H-全氟十一酰氯; 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-十七氟十一酰氯

Database IDs

• CAS Number: 89373-67-1
• MDL Number: MFCD05664712
• Beilstein Number: 3574069
• PubChem SID: 162246556; 24886326
• PubChem CID: 10864135

CALCULATED PROPERTIES

• Acid pKa: 14.894413
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.3394055
• LogD (pH = 7.4): 6.3394055
• Log P: 6.3394055
• Molar Refractivity: 59.603 cm^3
• Polarizability: 23.086166 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥97.0% (GC)
• Linear Formula: CF3(CF2)7CH2CH2COCl

DETAILS

Sigma Aldrich - 71941

Packaging
1 g in glass bottle
Physical form
clear liquid or solidified mass