1-Chloro-3-fluoro-2-propanol

Base Information

• Chemical Name: 1-Chloro-3-fluoro-2-propanol
• CAS No.: 453-11-2
• Molecular Formula: C₃H₆ClFO
• Molecular Weight: 112.531
• Hs Code.: 2905599890
• European Community (EC) Number: 670-856-3
• NSC Number: 167909,80643,21304
• UNII: M52MM3Q8FH
• DSSTox Substance ID: DTXSID001309613
• Nikkaji Number: J90.531C
• Mol file: 453-11-2.mol

Synonyms:453-11-2;1-Chloro-3-fluoroisopropanol;1-Chloro-3-fluoro-2-propanol;1-chloro-3-fluoropropan-2-ol;2-Propanol, 1-chloro-3-fluoro-;NSC 21304;BRN 1732051;M52MM3Q8FH;MFCD00045284;NSC-21304;NSC-80643;WLN: G1YQ1F;NSC80643;C3H6ClFO;Glycerolchlorofluorohydrin;UNII-M52MM3Q8FH;C3-H6-Cl-F-O;SCHEMBL1939447;DTXSID001309613;NSC21304;NSC167909;AKOS006229164;NSC-167909;AS-43833;LS-121898;FT-0607616;EN300-1968342

Chemical Property of 1-Chloro-3-fluoro-2-propanol

Chemical Property:

• Vapor Pressure: 0.951mmHg at 25°C
• Refractive Index: 1.438
• Boiling Point: 158.1°Cat760mmHg
• PKA: 12.77±0.20(Predicted)
• Flash Point: 49.4°C
• PSA: 20.23000
• Density: 1.212g/cm³
• LogP: 0.55560
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 112.0091207
• Heavy Atom Count: 6
• Complexity: 34

Purity/Quality:

98%min ^*data from raw suppliers

1-Chloro-3-fluoro-2-propanol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 10-20/21/22
• Safety Statements: 23-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(CCl)O)F
• Uses: It is a pharmaceutical intermediate.

Technology Process of 1-Chloro-3-fluoro-2-propanol

There total 3 articles about 1-Chloro-3-fluoro-2-propanol 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:

1,3-Dichloro-2-propanol (96-23-1) → epifluorohydrine (503-09-3) + 1,3-difluoro-2-propanol (453-13-4) + 1-chloro-3-fluoroisopropanol (146580-24-7,453-11-2) + 3-monochloro-1,2-propanediol (96-24-2) + epichlorohydrin (106-89-8,24969-06-0,13403-37-7)

Guidance literature:

With potassium fluoride; at 80 ℃; for 0.5h; under 750.075 Torr; Reagent/catalyst; Temperature; Inert atmosphere;

Reference yield:

1,2-Dichloropropane (26198-63-0,78-87-5) → epifluorohydrine (503-09-3) + 1,3-difluoro-2-propanol (453-13-4) + 1-chloro-3-fluoroisopropanol (146580-24-7,453-11-2) + 3-monochloro-1,2-propanediol (96-24-2) + epichlorohydrin (106-89-8,24969-06-0,13403-37-7)

Guidance literature:

With potassium fluoride; at 95 ℃; for 24.7h; under 750.075 Torr; Time; Inert atmosphere;

Reference yield:

epichlorohydrin (106-89-8,24969-06-0,13403-37-7) → 1,3-difluoro-2-propanol (453-13-4) + 1-chloro-3-fluoroisopropanol (146580-24-7,453-11-2)

Guidance literature:

With potassium hydrogen difluoride; diethylene glycol;

DOI:10.1039/jr9580002259

upstream raw materials:

epichlorohydrin

1,3-Dichloro-2-propanol

1,2-Dichloropropane

Downstream raw materials:

1-Chloro-3-fluoro-prop-2-one

Fluoromisonidazole

1-Fluoro-3-phenoxypropan-2-ol

Guajacyl-(2-hydroxy-3-fluor-propyl)-aether

Refernces