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1,1,1,3,3,3-Hexafluoro-2-propanol

for LC-MS LiChropur

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Synonym(s):
HFP, Hexafluoroisopropanol
Linear Formula:
(CF3)2CHOH
CAS Number:
Molecular Weight:
168.04
Beilstein:
1841007
MDL number:

Assay

≥99.8% (GC)

form

liquid

quality

for LC-MS LiChropur

impurities

≤0.02% water

refractive index

n20/D 1.275 (lit.)

bp

59 °C (lit.)

mp

−4 °C (lit.)

density

1.596 g/mL at 25 °C (lit.)

cation traces

Al: ≤0.5 ppm
Ca: ≤0.5 ppm
Cu: ≤0.02 ppm
Fe: ≤0.1 ppm
K: ≤2 ppm
Mg: ≤0.1 ppm
Na: ≤10 ppm

suitability

passes test for LC-MS (ESI/APCI pos. < 10 ppb)

SMILES string

OC(C(F)(F)F)C(F)(F)F

InChI

1S/C3H2F6O/c4-2(5,6)1(10)3(7,8)9/h1,10H

InChI key

BYEAHWXPCBROCE-UHFFFAOYSA-N

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This Item
8.0451510522852517
form

liquid

form

liquid

form

-

form

-

refractive index

n20/D 1.275 (lit.)

refractive index

-

refractive index

n20/D 1.275 (lit.)

refractive index

n20/D 1.275 (lit.)

bp

59 °C (lit.)

bp

58 °C/1013 hPa

bp

59 °C (lit.)

bp

59 °C (lit.)

mp

−4 °C (lit.)

mp

-3 °C

mp

−4 °C (lit.)

mp

−4 °C (lit.)

density

1.596 g/mL at 25 °C (lit.)

density

1.62 g/cm3 at 20 °C

density

1.596 g/mL at 25 °C (lit.)

density

1.596 g/mL at 25 °C (lit.)

General description

1,1,1,3,3,3-Hexafluoro-2-propanol(HFIP) is a thermally stable, highly polar, UV-transparent solvent that is misciblewith water and many polar organic solvents. It is used as a mobile phaseadditive in liquid chromatography-mass spectrometry (LC-MS) method to improveseparation and detection.

Application

1,1,1,3,3,3-Hexafluoro-2-propanol can be used as a:
  • Buffer additive for LC-ESI-MS to separate acidic and basic compounds.
  • Eluent additive in the UHPLC-MS/MS method to improve the chromatographic separation of basic and zwitterionic compounds.

Legal Information

LiChropur is a trademark of Merck KGaA, Darmstadt, Germany

Pictograms

CorrosionHealth hazard

Signal Word

Danger

Hazard Statements

Hazard Classifications

Eye Dam. 1 - Repr. 2 - Skin Corr. 1A - STOT RE 2

Storage Class Code

8A - Combustible, corrosive hazardous materials

WGK

WGK 2

Flash Point(F)

closed cup - boils before flash

Flash Point(C)

closed cup - boils before flash


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1, 1, 1, 3, 3, 3-Hexafluoro-2-propanol
Phillips AJ and Roach JJ
e-EROS Encyclopedia of Reagents for Organic Synthesis, 1-9 (2001)
Retention mechanisms of acidic and basic analytes on the Pentafluorophenyl stationary phase using fluorinated eluent additives
Lossmann K, et al.
Journal of Chromatography A, 1666, 462850-462850 (2022)
Fluoroalcohols as novel buffer components for basic buffer solutions for liquid chromatography electrospray ionization mass spectrometry: retention mechanisms
Kipper K, et al.
Journal of Chromatography A, 1218(45), 8175-8180 (2011)

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