1,1,1,3,3,3-Hexafluoro(2-2H)propan-2-(2H)ol

Base Information

• Chemical Name: 1,1,1,3,3,3-Hexafluoro(2-2H)propan-2-(2H)ol
• CAS No.: 38701-74-5
• Molecular Formula: C3H2F6O
• Molecular Weight: 170.023
• Hs Code.: 28459000
• European Community (EC) Number: 254-091-9
• DSSTox Substance ID: DTXSID30191995
• Nikkaji Number: J319.828F
• Wikidata: Q83064581
• Mol file: 38701-74-5.mol

Synonyms:38701-74-5;1,1,1,3,3,3-Hexafluoro-2-propanol-d2;1,1,1,3,3,3-Hexafluoro(2-2H)propan-2-(2H)ol;EINECS 254-091-9;2-deuterio-2-deuteriooxy-1,1,1,3,3,3-hexafluoropropane;1,1,1,3,3,3-hexafluoro[2-2H]propan-2-[2H]ol;Deuterated HFP;MFCD00037559;hexafluoroisopropanol-d2;C3D2F6O;SCHEMBL1414813;DTXSID30191995;hexafluoro(?H)propan-2-(?H)ol;BYEAHWXPCBROCE-AWPANEGFSA-N;C3-D2-F6-O;CS-CE-00840;AKOS015903013;E79361;Deuterated 1,1,1,3,3,3-hexafluoro-2-propanol;1,1,1,3,3,3-Hexafluoro-2-propanol-d2 (HFIP-d2);1,1,1,3,3,3-Hexafluoro-2-propanol-d2, 99 atom % D

Chemical Property of 1,1,1,3,3,3-Hexafluoro(2-2H)propan-2-(2H)ol

Chemical Property:

• Vapor Pressure: 159mmHg at 25°C
• Melting Point: -4oC(lit.)
• Refractive Index: n20/D 1.275(lit.)
• Boiling Point: 59 °C(lit.)
• Flash Point: 59°C
• PSA: 20.23000
• Density: 1.615 g/mL at 25 °C
• LogP: 1.47190
• Storage Temp.: Store below +30°C.
• Sensitive.: Moisture Sensitive
• Water Solubility.: Fully miscible in water.
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 170.01353715
• Heavy Atom Count: 10
• Complexity: 97.1

Purity/Quality:

98%min ^*data from raw suppliers

1,1,1,3,3,3-Hexafluoro-2-propanol-d2 ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 20/21/22-34
• Safety Statements: 26-27-28-36/37/39

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(C(F)(F)F)(C(F)(F)F)O
• Isomeric SMILES: [2H]C(C(F)(F)F)(C(F)(F)F)O[2H]
• Uses: 1,1,1,3,3,3-Hexafluoro-2-propanol-d{2} is a stable isotope used for biochemical research. It is also used as an intermediate in chemical research and in pharmaceutics.

Technology Process of 1,1,1,3,3,3-Hexafluoro(2-2H)propan-2-(2H)ol

There total 1 articles about 1,1,1,3,3,3-Hexafluoro(2-2H)propan-2-(2H)ol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ 2-deuterio-2-deuteriooxy-1,1,1,3,3,3-hexafluoropropane (38701-74-5)

Guidance literature:

1,1,1,3,3,3-<2-²H>Hexafluorpropanol, D2O;

DOI:10.1039/f29726801642

Reference yield: 74.0%

2-deuterio-2-deuteriooxy-1,1,1,3,3,3-hexafluoropropane (38701-74-5) + Methyl phenyldiazoacetate (22979-35-7) → C12H8(2)H2F6O3

Guidance literature:

In dichloromethane; at 20 ℃; Irradiation;

DOI:10.1002/anie.201915161

Reference yield: 12.0%

2-deuterio-2-deuteriooxy-1,1,1,3,3,3-hexafluoropropane (38701-74-5) + N-(1-(4-methoxyphenyl)but-3-yn-1-yl)-4-methylbenzenesulfonamide → C18H17(2)H2NO3S + C21H17(2)H4F6NO4S + C18H18(2)HNO3S

Guidance literature:

With silver(I) acetate; at 55 - 60 ℃;

DOI:10.1021/acs.joc.0c00403

Downstream raw materials:

3,3,3-trifluoro-2-phenylpropene