Tribromoacetic acid

Base Information

• Chemical Name: Tribromoacetic acid
• CAS No.: 75-96-7
• Molecular Formula: C2HBr3O2
• Molecular Weight: 296.741
• Hs Code.: 29159000
• European Community (EC) Number: 200-919-9
• UNII: 71KTL99QJX
• DSSTox Substance ID: DTXSID6021668
• Nikkaji Number: J136.517G
• Wikipedia: Tribromoacetic_acid
• Wikidata: Q20978596
• ChEMBL ID: CHEMBL502627
• Mol file: 75-96-7.mol

Synonyms:Aceticacid, tribromo- (6CI,7CI,8CI,9CI);2,2,2-Tribromoacetic acid;NSC 171102;

Chemical Property of Tribromoacetic acid

Chemical Property:

• Appearance/Colour: crystalline powder or chunks
• Vapor Pressure: 0.00961mmHg at 25°C
• Melting Point: 130 °C
• Refractive Index: 1.676
• Boiling Point: 245 °C at 760 mmHg
• PKA: 0.22±0.10(Predicted)
• Flash Point: 97 °C
• PSA: 37.30000
• Density: 3.098 g/cm³
• LogP: 1.90950
• Storage Temp.: 2-8°C
• Water Solubility.: Soluble in water
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 295.75062
• Heavy Atom Count: 7
• Complexity: 83.4

Purity/Quality:

99% ^*data from raw suppliers

Tribromoacetic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,Xi,F
• Hazard Codes: C,Xi,F
• Statements: 35-40-36/37/38-38-11
• Safety Statements: 26-36/37/39-45-24/25-36-16-24-9

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Organic Acids
• Canonical SMILES: C(=O)(C(Br)(Br)Br)O
• Uses: Catalyst for polymerization; as brominating agent: W. J. Szczepek, Pol. J. Chem. 55, 709 (1981).

Technology Process of Tribromoacetic acid

There total 20 articles about Tribromoacetic acid 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:

bromal (115-17-3) + dihydrogen peroxide (7722-84-1) + iron(II) sulfate → dibromoacetaldehyde (3039-13-2) + tribromoacetic acid (75-96-7) + hydrogen bromide (10035-10-6,12258-64-9)

Guidance literature:

DOI:10.1139/v57-195

Reference yield:

malonic acid (141-82-2) + water (7732-18-5) + bromine (7726-95-6) → Bromoform (75-25-2) + tribromoacetic acid (75-96-7) + hydrogen bromide (10035-10-6,12258-64-9)

Guidance literature:

at 100 ℃;

Reference yield:

arsonoacetic acid (107-38-0) → Bromoform (75-25-2) + tribromoacetic acid (75-96-7)

Guidance literature:

With bromine;

upstream raw materials:

bromal

1,1,2,2-tetrabromoethene

malonic acid

tribromoacetyl bromide

Downstream raw materials:

methyl tribromoacetate

1-Brom-cyclohexancarbonsaeure-cyclohexylamid

(E)-1,1,1-tribromo-4-phenylbut-3-en-2-ol

1,1,1-Tribromo-4-phenyl-butan-2-ol

Refernces

• 1、 Gupta, Kalyan Kali Sen,Dey, Sanghamitra,Gupta, Shipra Sen,Adhikari, Mrityunjoy,Banerjee, Amalendu. "EVIDENCE OF ESTERIFICATION DURING THE OXIDATION OF SOME AROMATIC ALDEHYDES BY CHROMIUM (VI) IN ACID MEDIUM AND THE MECHANISM OF THE OXIDATION PROCESS". . p. 2431 - 2444. Retrieved 2007/10/02.