Brometone

Base Information

• Chemical Name: Brometone
• CAS No.: 76-08-4
• Molecular Formula: C4H7 Br3 O
• Molecular Weight: 310.811
• European Community (EC) Number: 200-931-4
• NSC Number: 2865
• UNII: H9LQ7C4SAQ
• DSSTox Substance ID: DTXSID50870396
• Nikkaji Number: J4.168H
• Wikidata: Q27279810
• Mol file: 76-08-4.mol

Synonyms:Brometone;Bromobutanol;Acetonbromoform;Brometon;Acetone-bromoform;1,1,1-Tribromo-2-methylpropan-2-ol;76-08-4;Tribromo-tert-butyl alcohol;2-Tribromomethyl-2-propanol;1,1,1-TRIBROMO-2-METHYL-2-PROPANOL;2-Propanol, 1,1,1-tribromo-2-methyl-;NSC 2865;UNII-H9LQ7C4SAQ;H9LQ7C4SAQ;HSDB 5212;NSC-2865;EINECS 200-931-4;AI3-14655;NSC2865;starbld0042324;Tribromo-t-butyl alcohol;C4H7Br3O;BROMOBUTANOL [HSDB];2,2,2-Tribrom-t-butanol;SCHEMBL988053;C4-H7-Br3-O;DTXSID50870396;1,1,1-tribrom-2-methylpropan-2-ol;2-Propanol,1,1-tribromo-2-methyl-;AKOS024334003;2-Methyl-1,1,1-tribromo-2-propanol;TRIBROMO-TERT-BUTYL ALCOHOL [MI];Q27279810

Chemical Property of Brometone

Chemical Property:

• Vapor Pressure: 0.00267mmHg at 25°C
• Melting Point: 167-176° (Aldrich); mp 169° (Viehe)
• Refractive Index: 1.5580 (estimate)
• Boiling Point: 254.2°C at 760 mmHg
• Flash Point: 107.6°C
• PSA: 20.23000
• Density: 2.359g/cm³
• LogP: 2.59580
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 309.80265
• Heavy Atom Count: 8
• Complexity: 83.8

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Halogenated Alcohols
• Canonical SMILES: CC(C)(C(Br)(Br)Br)O
• Uses: As modifier in polymerization of vinyl chloride, Seymour, US 2716112 (1955 to U.S. Rubber).

Technology Process of Brometone

There total 2 articles about Brometone 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: 64.0%

Bromoform (75-25-2) + acetone (67-64-1) → bromethone (76-08-4)

Guidance literature:

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

Reference yield:

→ bromethone (76-08-4)

Guidance literature:

Aceton, Bromoform, fl. NH3, NaNH2, (-80grad);

Reference yield:

bromethone (76-08-4) + O-acetylsalicyloyl chloride (5538-51-2) → 2-acetoxy-benzoic acid-(2,2,2-tribromo-1,1-dimethyl-ethyl ester)

Guidance literature:

With barium carbonate; benzene;

upstream raw materials:

Bromoform

acetone

Refernces