2,2,3,3,4,4,4-heptafluorobutan-1-ol

• ChemBase ID: 6522
• Molecular Formular: C4H3F7O
• Molecular Mass: 200.0548424
• Monoisotopic Mass: 200.00721226
• SMILES: C(O)C(C(C(F)(F)F)(F)F)(F)F
• Canonical SMILES: OCC(C(C(F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C4H3F7O/c5-2(6,1-12)3(7,8)4(9,10)11/h12H,1H2
• InChIKey: WXJFKAZDSQLPBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,3,3,4,4,4-heptafluorobutan-1-ol
• IUPAC Traditional name: 2,2,3,3,4,4,4-heptafluorobutan-1-ol
• Synonyms: 2,2,3,3,4,4,4-Heptafluoro-1-butanol; Perfluoropropyl carbinol; 2,2,3,3,4,4,4-Heptafluoro-1-butanol; 2,2,3,3,4,4,4-Heptafluorobutan-1-ol; (Perfluoropropyl)methanol; 1H,1H-Heptafluorobutan-1-ol 98%; PERFLUORO-1,1-DIHYDROBUTANOL; 全氟丁醇; 2,2,3,3,4,4,4-七氟-1-丁醇

Database IDs

• CAS Number: 375-01-9
• EC Number: 206-782-1
• MDL Number: MFCD00004674
• Beilstein Number: 1761907
• PubChem SID: 160969829; 24873908; 24895467
• PubChem CID: 9776

CALCULATED PROPERTIES

• Acid pKa: 12.614922
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.8378046
• LogD (pH = 7.4): 1.8378019
• Log P: 1.8378046
• Molar Refractivity: 23.0474 cm^3
• Polarizability: 8.840368 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 95-97°C; 95-97°C; 96-97 °C(lit.); 96-97°C
• Flash Point: 25 °C; 25°C; 25°C(77°F); 77 °F
• Density: 1.596; 1.6 g/mL at 25 °C(lit.); 1.600
• Refractive Index: 1.300; 1.3000; n20/D 1.3(lit.)

Safety Information

• Storage Warning: Flammable/Harmful/Irritant; IRRITANT, FLAMMABLE
• RTECS: EL4130000
• European Hazard Symbols: X; Irritant (Xi)
• UN Number: 1987; UN1987
• German water hazard class: 2
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10-20-36/37/38; 10-36/37/38
• Safety Statements: 16-26; 23-26-36/37
• TSCA Listed: true; 是
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315-H319-H335; H226-H332-H315-H319-H335-H303
• GHS Precautionary statements: P260-P280H-P305+P351+P338; P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1987 3/PG 3

Product Information

• Purity: ≥95.0% (GC); 98%
• Grade: purum
• Impurities: ≤1% water
• Linear Formula: CF3CF2CF2CH2OH

DETAILS

MP Biomedicals - 05213013

MP Biomedicals Rare Chemical collection

Apollo Scientific Ltd - PC4390

Intermediate for speciality coating systems; acrylate and methacrylate esters are available.

Sigma Aldrich - H1604

Packaging
5, 25 g in glass bottle