tricosafluorododecanoic acid

• ChemBase ID: 7883
• Molecular Formular: C12HF23O2
• Molecular Mass: 614.0984136
• Monoisotopic Mass: 613.96092833
• SMILES: C(C(C(C(C(C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F
• Canonical SMILES: OC(=O)C(C(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)(F)F
• InChI: InChI=1S/C12HF23O2/c13-2(14,1(36)37)3(15,16)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)12(33,34)35/h(H,36,37)
• InChIKey: CXGONMQFMIYUJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tricosafluorododecanoic acid
• IUPAC Traditional name: perfluorododecanoic acid
• Synonyms: Tricosafluorododecanoic acid; Perfluorododecanoic acid; Perfluorododecanoic acid; Perfluorododecanoic acid; Perfluorolauric acid; Tricosafluorododecanoic acid; Perfluorododecanoic acid 96%; 全氟十二酸; 全氟十二酸; 全氟十二烷酸

Database IDs

• CAS Number: 307-55-1
• EC Number: 206-203-2
• MDL Number: MFCD00198081
• Beilstein Number: 1811257
• PubChem SID: 160971190; 24865376
• PubChem CID: 67545

CALCULATED PROPERTIES

• Acid pKa: -5.1978645
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.3859425
• LogD (pH = 7.4): 4.3859425
• Log P: 7.91541
• Molar Refractivity: 60.3339 cm^3
• Polarizability: 24.385939 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 105-108 °C(lit.); 107-109°C; 108-112°C
• Boiling Point: 245 °C/740 mmHg(lit.); 245°C/740mm; 245°C
• Flash Point: None; none°C

Safety Information

• Storage Warning: Corrosive; IRRITANT, CORROSIVE
• European Hazard Symbols: Corrosive (C); Irritant (Xi)
• UN Number: UN3261
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34; 36/37/38
• Safety Statements: 26-36; 26-36/37/39-45
• TSCA Listed: true; 是
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H314-H318; H315-H319-H335
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95%; 96%
• Linear Formula: CF3(CF2)10CO2H

DETAILS

Sigma Aldrich - 406449

Packaging
1, 10 g in glass bottle