Bromodichloroacetic acid

Base Information

• Chemical Name: Bromodichloroacetic acid
• CAS No.: 71133-14-7
• Molecular Formula: C2HBrCl2O2
• Molecular Weight: 207.839
• European Community (EC) Number: 623-296-9
• UNII: SJ84PTP2HD
• DSSTox Substance ID: DTXSID4024644
• Nikkaji Number: J657.715F
• Wikidata: Q27289240
• ChEMBL ID: CHEMBL453528
• Mol file: 71133-14-7.mol

Synonyms:bromodichloroacetate;bromodichloroacetic acid

Chemical Property of Bromodichloroacetic acid

Chemical Property:

• Vapor Pressure: 0.134mmHg at 25°C
• Melting Point: 69-72 °C
• Refractive Index: 1.57
• Boiling Point: 200.7 °C at 760 mmHg
• PKA: 0.05±0.10(Predicted)
• Flash Point: 75.2 °C
• PSA: 37.30000
• Density: 2.254 g/cm³
• LogP: 1.59730
• Storage Temp.: 2-8°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 205.85370
• Heavy Atom Count: 7
• Complexity: 91.7

Purity/Quality:

98%Min ^*data from raw suppliers

Bromodichloroacetic acid analytical standard ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,Xi,C
• Hazard Codes: F,Xi,C
• Statements: 36/37/38-40-34-20/21/22-38-11
• Safety Statements: 16-26-36-45-36/37/39-27-24-9

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(=O)(C(Cl)(Cl)Br)O

Technology Process of Bromodichloroacetic acid

There total 3 articles about Bromodichloroacetic 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:

1-bromo-1,1-dichloro-2-nitroethane (97987-61-6) → bromodichloroacetic acid (71133-14-7)

Guidance literature:

With sulfuric acid; for 1h; Heating;

DOI:10.1021/jo01078a008

Reference yield:

bromodichloroacetonitrile (60523-73-1) → bromodichloroacetamide (98137-00-9) + bromodichloroacetic acid (71133-14-7)

Guidance literature:

With hydrogenchloride; at 20 ℃; for 96h; Further Variations:; pH-values; Reagents; Kinetics;

DOI:10.1016/S0043-1354(98)00361-3

Reference yield:

Bromodichloroacetaldehyde (34619-29-9) → bromodichloroacetic acid (71133-14-7)

Guidance literature:

With nitric acid;

upstream raw materials:

Bromodichloroacetaldehyde

1-bromo-1,1-dichloro-2-nitroethane

bromodichloroacetonitrile

Downstream raw materials:

bromodichloroacetic acid methyl ester

dichloro-acetic acid

bromodichloromethane

carbon dioxide

Refernces