2,2,3-Trichlorobutane-1,1-diol

Base Information

• Chemical Name: 2,2,3-Trichlorobutane-1,1-diol
• CAS No.: 76-40-4
• Molecular Formula: C4H7 Cl3 O2
• Molecular Weight: 193.457
• European Community (EC) Number: 200-958-1
• UNII: 90FG67M3EK
• DSSTox Substance ID: DTXSID00875573
• Nikkaji Number: J9.109J
• Wikidata: Q27271320
• Mol file: 76-40-4.mol

Synonyms:2,2,3-Trichlorobutane-1,1-diol;BUTYLCHLORAL HYDRATE;76-40-4;2,2,3-TRICHLORO-1,1-BUTANEDIOL;EINECS 200-958-1;UNII-90FG67M3EK;90FG67M3EK;1,1-Butanediol, 2,2,3-trichloro-;C4H7Cl3O2;SCHEMBL9618897;2,2,3-trichlorbutan-1,1-diol;DTXSID00875573;AKOS024333505;Q27271320

Chemical Property of 2,2,3-Trichlorobutane-1,1-diol

Chemical Property:

• Vapor Pressure: 0.000501mmHg at 25°C
• Boiling Point: 279°C at 760 mmHg
• PKA: 11.17±0.41(Predicted)
• Flash Point: 122.5°C
• PSA: 40.46000
• Density: 1.553g/cm³
• LogP: 1.09830
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 191.951163
• Heavy Atom Count: 9
• Complexity: 93.8

Purity/Quality:

98%min ^*data from raw suppliers

2,2,3-TRICHLORO-1,1-BUTANEDIOL Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(C(O)O)(Cl)Cl)Cl

Technology Process of 2,2,3-Trichlorobutane-1,1-diol

There total 3 articles about 2,2,3-Trichlorobutane-1,1-diol 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:

butyraldehyde (123-72-8) → 2,2,3-tri-chlorobutane-1,1-diol (76-40-4)

Guidance literature:

With water;

Reference yield:

paracetaldehyde (123-63-7) → 2,2,3-tri-chlorobutane-1,1-diol (76-40-4)

Guidance literature:

With chlorine;

Reference yield:

2,2,3-trichlorobutyraldehyde (76-36-8) + water (7732-18-5) → 2,2,3-tri-chlorobutane-1,1-diol (76-40-4)

Guidance literature:

upstream raw materials:

butyraldehyde

paracetaldehyde

2,2,3-trichlorobutyraldehyde

water

Downstream raw materials:

α-chloro methyl crotonate

ethyl-2-chlorocrotonate

2,2,3-trichlorobutyraldehyde

N-(2,2,3-trichloro-1-hydroxy-butyl)-benzamide