heptacosafluorotetradecanoic acid

• ChemBase ID: 98844
• Molecular Formular: C14HF27O2
• Molecular Mass: 714.1134264
• Monoisotopic Mass: 713.95454121
• SMILES: OC(=O)C(C(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)(F)F)(F)F
• Canonical SMILES: OC(=O)C(C(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)(F)F)(F)F
• InChI: InChI=1S/C14HF27O2/c15-2(16,1(42)43)3(17,18)4(19,20)5(21,22)6(23,24)7(25,26)8(27,28)9(29,30)10(31,32)11(33,34)12(35,36)13(37,38)14(39,40)41/h(H,42,43)
• InChIKey: RUDINRUXCKIXAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: heptacosafluorotetradecanoic acid
• IUPAC Traditional name: heptacosafluorotetradecanoic acid
• Synonyms: Perfluorotetradecanoic acid 97%; Perfluorotetradecanoic acid; Perfluoromyristic acid; 全氟十四酸

Database IDs

• CAS Number: 376-06-7
• EC Number: 206-803-4
• MDL Number: MFCD00153263
• Beilstein Number: 1811438
• PubChem SID: 162085197; 24868296
• PubChem CID: 67822

CALCULATED PROPERTIES

• Acid pKa: -5.1978626
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 5.787228
• LogD (pH = 7.4): 5.787228
• Log P: 9.316695
• Molar Refractivity: 69.6699 cm^3
• Polarizability: 28.221552 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 130-132°C; 130-135 °C(lit.); 130-135°C
• Boiling Point: 192°C/60mm; 270 °C/740 mmHg(lit.); 270°C/740mm

Safety Information

• Storage Warning: Corrosive/Harmful/Irritant
• European Hazard Symbols: Corrosive (C)
• UN Number: UN3261
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 96%; 97%
• Linear Formula: CF3(CF2)12CO2H

DETAILS

Apollo Scientific Ltd - PC6218E

Soluble in water.

Sigma Aldrich - 446785

Packaging
5 g in glass bottle