Dibromochloroacetic acid

Base Information

• Chemical Name: Dibromochloroacetic acid
• CAS No.: 5278-95-5
• Molecular Formula: C2H Br2 Cl O2
• Molecular Weight: 252.29
• Hs Code.: 2903799090
• European Community (EC) Number: 624-239-0
• UNII: AMD03B602V
• DSSTox Substance ID: DTXSID3031151
• Nikkaji Number: J80.989F
• Wikidata: Q27274006
• Mol file: 5278-95-5.mol

Synonyms:Dibromochloroacetic acid;5278-95-5;Chlorodibromoacetic acid;Acetic acid, dibromochloro-;2,2-dibromo-2-chloroacetic acid;UNII-AMD03B602V;AMD03B602V;HSDB 7621;DBCAA;C2HBr2ClO2;C2-H-Br2-Cl-O2;CHLORODIBROMOACETICACID;SCHEMBL751842;DTXSID3031151;LS-182;AKOS028108487;DIBROMOCHLOROACETIC ACID [HSDB];NCGC00188892-01;Chlorodibromoacetic acid, analytical standard;ACETIC ACID, 2,2-DIBROMO-2-CHLORO-;A936990;Q27274006;Chlorodibromoacetic acid, vial of 25 mg, analytical standard

Chemical Property of Dibromochloroacetic acid

Chemical Property:

• Vapor Pressure: 0.0499mmHg at 25°C
• Melting Point: 99-102 °C(lit.)
• Boiling Point: 217.7°C at 760 mmHg
• PKA: 0.13±0.10(Predicted)
• Flash Point: 85.5°C
• PSA: 37.30000
• Density: 2.684g/cm³
• LogP: 1.75340
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Sparingly), Methanol (Slightly)
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 251.80113
• Heavy Atom Count: 7
• Complexity: 91.7

Purity/Quality:

98%Min ^*data from raw suppliers

Chlorodibromoacetic acid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(=O)(C(Cl)(Br)Br)O
• Uses: Chlorodibromoacetic Acid is a prevalent class of toxic disinfection byproducts in swimming pool water (SPW).

Technology Process of Dibromochloroacetic acid

There total 4 articles about Dibromochloroacetic 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:

dibromochloroacetaldehyde (64316-11-6) → chlorodibromoacetic acid (5278-95-5)

Guidance literature:

With nitric acid; at 100 ℃;

Reference yield:

dibromochloroacetonitrile (144772-39-4) → chlorodibromoacetic acid (5278-95-5) + dibromochloroacetamide (855878-13-6)

Guidance literature:

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

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

Reference yield:

chloroacetic acid (79-11-8) → chlorodibromoacetic acid (5278-95-5)

Guidance literature:

With Bromotrichloromethane; copper(l) chloride;

upstream raw materials:

dibromochloroacetaldehyde

chloroacetic acid

dibromochloroacetonitrile

Downstream raw materials:

chlorodibromomethane

methylammonium carbonate

chloroacetic acid

dibromochloroacetic acid methyl ester

Refernces