2,2,2-Tribromoethanol

Base Information

• Chemical Name: 2,2,2-Tribromoethanol
• CAS No.: 75-80-9
• Deprecated CAS: 8002-84-4
• Molecular Formula: C2H3Br3O
• Molecular Weight: 282.757
• Hs Code.: 29159080
• European Community (EC) Number: 200-903-1
• NSC Number: 2189
• UNII: 149JI83A44
• DSSTox Substance ID: DTXSID2023698
• Nikkaji Number: J4.162I
• Wikipedia: Tribromoethanol
• Wikidata: Q25105561
• ChEMBL ID: CHEMBL1697852
• Mol file: 75-80-9.mol

Synonyms:2,2,2-tribromoethanol;avertin;Bromethol;Ethobrome;tribromoethanol

Chemical Property of 2,2,2-Tribromoethanol

Chemical Property:

• Appearance/Colour: almost white to beige crystalline powder
• Vapor Pressure: 0.0879mmHg at 25°C
• Melting Point: 73-79 °C(lit.)
• Refractive Index: 1.65
• Boiling Point: 199 °C at 760 mmHg
• PKA: 13.41±0.10(Predicted)
• Flash Point: 99.7 °C
• PSA: 20.23000
• Density: 2.866 g/cm³
• LogP: 1.81720
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Sensitive.: Light Sensitive
• Water Solubility.: Soluble in alcohol, ether, benzene and warmpetroleum ether. Partially soluble in water.
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 281.77135
• Heavy Atom Count: 6
• Complexity: 38.5

Purity/Quality:

99% ^*data from raw suppliers

2,2,2-Tribromoethanol min.98.0% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(Br)(Br)Br)O
• Uses: 2,2,2-Tribromoethanol is utilized in organic synthesis of beta-amino alcohols. The pharmaceutical preparation of tribromoethanol serves as an anesthetic in medicine. 2,2,2-Tribromoethanol can be used as a functional initiator for the introduction of α-hydroxyl groups to poly(methyl methacrylate) and poly(n-butyl acrylate). Medicine (basal anesthetic).

Technology Process of 2,2,2-Tribromoethanol

There total 12 articles about 2,2,2-Tribromoethanol 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: 46.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + Bromoform (75-25-2) → 2,2,2-tribromoethanol (75-80-9)

Guidance literature:

With potassium tert-butylate; ammonia; at -75 - -65 ℃; for 0.5h;

Reference yield:

bromal hydrate (507-42-6) → 2,2-dibromoethanol (83206-47-7) + 2,2,2-tribromoethanol (75-80-9) + 2-bromoethanol (540-51-2)

Guidance literature:

bei der Einw_. von gaerender Hefe;

DOI:10.1002/1099-1395(200010)13:10<624::AID-POC285>3.0.CO;2-T

Reference yield:

1,1,1-trichloroethanol (115-20-8) → 2,2,2-tribromoethanol (75-80-9)

Guidance literature:

With carbon disulfide; aluminum tri-bromide;

upstream raw materials:

bromal

magnesium methanolate

ethylmagnesium bromide

1,1,1-trichloroethanol

Downstream raw materials:

glyoxal bis-(4-nitrophenylhydrazone)

o-Hydroxyphenyl-2,2,2-tribromethylphosphat

3-Phenylpropionsaeure-tribromethylester

Refernces

• 1、 Stouwe, Claus van der,Schaefer, Hans J.. "Selektive Blockierung von primaeren oder sekundaeren Hydroxylgruppen mit elektroaktiven Schutzgruppen". . p. 946 - 958. Retrieved 2007/10/02.