2,2,3,3,3-pentafluoropropan-1-ol

• ChemBase ID: 9773
• Molecular Formular: C3H3F5O
• Molecular Mass: 150.047336
• Monoisotopic Mass: 150.01040582
• SMILES: C(C(CO)(F)F)(F)(F)F
• Canonical SMILES: OCC(C(F)(F)F)(F)F
• InChI: InChI=1S/C3H3F5O/c4-2(5,1-9)3(6,7)8/h9H,1H2
• InChIKey: PSQZJKGXDGNDFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,3,3,3-pentafluoropropan-1-ol
• IUPAC Traditional name: pentafluoro-1-propanol
• Synonyms: 1H,1H-Pentafluoropropanol-1; PFPOH; 2,2,3,3,3-Pentafluoro-1-propanol; 2,2,3,3,3-Pentafluoropropan-1-ol 98%; PERFLUORODIHYDROPROPANOL; PENTAFLUOROPROPANOL; 1H,1H-Pentafluoro-1-propanol; 2,2,3,3,3-五氟-1-丙醇

Database IDs

• CAS Number: 422-05-9
• EC Number: 207-012-7
• MDL Number: MFCD00004673
• Beilstein Number: 1743133
• PubChem SID: 160973080; 24855590; 24887052
• PubChem CID: 9872

CALCULATED PROPERTIES

• Acid pKa: 12.524556
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.1371619
• LogD (pH = 7.4): 1.1371586
• Log P: 1.1371619
• Molar Refractivity: 18.3794 cm^3
• Polarizability: 6.9320416 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 80 °C/748 mmHg(lit.); 80°C/748mm; 80-81°C; 81°C
• Flash Point: none°C
• Density: 1.505; 1.505 g/mL at 25 °C(lit.); 1.509
• Refractive Index: 1.288; 1.2880; n20/D 1.288(lit.)

Safety Information

• Storage Warning: Harmful/Irritant; IRRITANT
• RTECS: UB8800000
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36; 26-36/37
• TSCA Listed: true; 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥97.0% (GC); 97%; 98%
• Grade: purum
• Linear Formula: CF3CF2CH2OH

DETAILS

MP Biomedicals - 05206024

MP Biomedicals Rare Chemical collection

MP Biomedicals - 05216538

MP Biomedicals Rare Chemical collection

Apollo Scientific Ltd - PC5706

Suitable reagent for the derivatisation of carboxylic acids for ECD and GCMS analysis.Technical bulletin available - please enquire.

Sigma Aldrich - 257478

Application
Generates fluorinated alpha-keto ethers with alkenes1 and has wide applications in the expanding fluorous research area2
Preparation of trifluoromethyl ynamines which, in turn, converted aldehydes to α-trifluoromethyl-α,β-unsaturated amides.2
Packaging
5, 25 g in glass bottle