51219-87-5

Basic information

• Product Name: 1,1,1,3,3,3-HEXAFLUORO-2-PROPANOL-D2
• Synonyms: O,O'-DEUTERIO-1,1,1,3,3,3-HEXAFLUOROPROPAN-2,2-DIOL;1,1,1,3,3,3-HEXAFLUORO-2-PROPANOL-D2;1,1,1,3,3,3-HEXAFLUOROISOPROPYL ALCOHOL;1,1,1,3,3,3-HEXAFLUOROISOPROPANOL-D2;DEUTEROHEXAFLUOROISOPROPANOL;HEXAFLUORO-2-PROPYLALCOHOL-D2;HEXAFLUOROISOPROPYL ALCOHOL D2;HEXAFLUOROISOPROPANOL D2
• CAS NO: 51219-87-5
• Molecular Formula: C3D2F6O
• Molecular Weight: 170.05
• Mol File: 51219-87-5.mol
• Article Data: 1

Chemical Properties

• Melting Point: −4 °C(lit.)
• Boiling Point: 59 °C(lit.)
• Appearance: /
• Density: 1.615 g/mL at 25 °C
• Refractive Index: n20/D 1.275(lit.)
• CAS DataBase Reference: 1,1,1,3,3,3-HEXAFLUORO-2-PROPANOL-D2(CAS DataBase Reference)
• NIST Chemistry Reference: 1,1,1,3,3,3-HEXAFLUORO-2-PROPANOL-D2(51219-87-5)
• EPA Substance Registry System: 1,1,1,3,3,3-HEXAFLUORO-2-PROPANOL-D2(51219-87-5)

Safety Data

• Hazard Codes: C
• Statements: 20/21/22-34
• Safety Statements: 26-27-28-36/37/39
• RIDADR: UN 3265 8/PG 2
• WGK Germany: 3
• Hazardous Substances Data: 51219-87-5(Hazardous Substances Data)

Usage

Type

Deuterated derivative of hexafluoro-2-propanol

Composition

Six fluorine atoms, two deuterium atoms, and a propanol group

Physical State

Colorless liquid

Boiling Point

High boiling point

Common Uses

a. Solvent and reagent in analytical and synthetic chemistry
b. Nuclear magnetic resonance (NMR) spectroscopy for studying structures of organic compounds and biomolecules
c. Pharmaceutical industry for drug formulation preparation
d. Polymer chemistry for the synthesis of fluorinated polymers
e. Semiconductor industry for the development of advanced electronic materials

Upstream product

• 175167-66-5 2-(Di-adamantan-1-yl-phosphinoyl)-1,1,1,3,3,3-hexafluoro-propan-2-ol 

Relevant articles and documents

The reaction of secondary phosphines and di-1-adamantylphosphine oxide with trifluoroacetic anhydride and hexafluoroacetone

While the secondary phosphines (1-Ad)2PH (1) (1-Ad=adamantyl) and Trt(Ph)PH (2) (Trt=triphenylmethyl) reacted readily with trifluoroacetic anhydride (TFAA) to give the trifluoroacetylphosphines 7 and 8. (1-Ad)2P(:O)H (6) could not be converted into the corresponding trifluoroacetylphosphine oxide 10 by treatment with TFAA. Compound 10 was observed by 19F and 31P NMR spectroscopy in the reaction of (1-Ad)2PC(:O)CF3 (7) with (H2N)2C(:O)·H2O2. Two pathways were observed for the reaction of 1 with excess hexafluoroacetone (HFA), starting from the primary HFA adduct (1-Ad)2PC(CF3)2OH (13). Oxidation of 13 led to the tertiary phosphine oxide 14 which was also available from (1-Ad)2P(:O)H (6) and HFA. Isomerization of 13 gave (1-Ad)2POCH(CF3)2 (15) whose oxidation with excess HFA furnished the phosphorane 16. Hydrolysis of 16 led to the phosphinic ester 17. As is known for Ph2PH (3), Ph(C6F5)PH (4) reacted with HFA to give the α-hydroxyphosphine 19. No reaction was observed when Trt(Ph)PH (2) and (C6F5)2PH (5) were treated with HFA.