2,2-Dibromoacetamide

Base Information

• Chemical Name: 2,2-Dibromoacetamide
• CAS No.: 598-70-9
• Molecular Formula: C2H3 Br2 N O
• Molecular Weight: 216.86
• NSC Number: 98282
• UNII: 2196J847P9
• DSSTox Substance ID: DTXSID9074985
• Nikkaji Number: J479K
• Wikidata: Q27253538
• ChEMBL ID: CHEMBL156196
• Mol file: 598-70-9.mol

Synonyms:2,2-Dibromoacetamide;598-70-9;Acetamide, 2,2-dibromo-;dibromoacetamide;2,2-Dibromo-acetamide;CHEMBL156196;UNII-2196J847P9;NSC 98282;NSC-98282;2196J847P9;Acetdibromamide;ACETAMIDE,2,2-DIBROMO-;NSC98282;C2H3Br2NO;NCIOpen2_006224;C2-H3-Br2-N-O;SCHEMBL1669878;DTXSID9074985;BDBM50226157;AKOS040758222;HY-133665;CS-0128491;Q27253538

Chemical Property of 2,2-Dibromoacetamide

Chemical Property:

• Vapor Pressure: 0.00457mmHg at 25°C
• Melting Point: 156 °C
• Boiling Point: 277.3°Cat760mmHg
• PKA: 13.39±0.50(Predicted)
• Flash Point: 121.5°C
• PSA: 43.09000
• Density: 2.434g/cm³
• LogP: 1.28790
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 216.85609
• Heavy Atom Count: 6
• Complexity: 62.6

Purity/Quality:

99% ^*data from raw suppliers

Dibromoacetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(=O)N)(Br)Br
• Uses: Dibromoacetamide is a byproduct produced from water purifciation processes.

Technology Process of 2,2-Dibromoacetamide

There total 11 articles about 2,2-Dibromoacetamide 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: 55.0%

dibromoacetonitrile (3252-43-5) → dibromoacetamide (598-70-9) + tris-dibromomethyl s-triazine (30362-01-7)

Guidance literature:

With hydrogenchloride; aluminum tri-bromide; 1) 0 deg C, 3 d, 2) 60 deg C, 3 h;

Reference yield:

2,2,5,5-tetrabromo-3,4-dioxo-adipic acid diethyl ester + ethanol (64-17-5) + ammonia (7664-41-7) → Oxalamide (471-46-5) + dibromoacetamide (598-70-9)

Guidance literature:

Kuehlung;

Reference yield:

ethanol (64-17-5) + dibromo-oxalacetic acid diethyl ester (98489-17-9) + ammonia (7664-41-7) → Oxalamide (471-46-5) + dibromoacetamide (598-70-9)

Guidance literature:

DOI:10.1001/jama.286.17.2096

upstream raw materials:

dibromoacetonitrile

methyl 2,2-dibromo-3-oxo-4,4-difluorobutyrate

2,2-Dibromo-4,4,4-trifluoro-3-oxo-butyric acid methyl ester

ethanol

Downstream raw materials:

dibromoacetonitrile

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