2,2-Dibromo-2-cyanoacetamide

Base Information

• Chemical Name: 2,2-Dibromo-2-cyanoacetamide
• CAS No.: 10222-01-2
• Deprecated CAS: 63619-09-0,1838552-16-1
• Molecular Formula: C3H2Br2N2O
• Molecular Weight: 241.87
• Hs Code.: 29209090
• European Community (EC) Number: 233-539-7
• NSC Number: 98283
• UN Number: 2923
• UNII: 7N51QGL6MJ
• DSSTox Substance ID: DTXSID5032361
• Nikkaji Number: J10.480I
• Wikipedia: DBNPA
• Wikidata: Q5204411
• Metabolomics Workbench ID: 46624
• ChEMBL ID: CHEMBL1878278
• Mol file: 10222-01-2.mol

Synonyms:2,2-dibromo-3-nitrilopropionamide

Chemical Property of 2,2-Dibromo-2-cyanoacetamide

Chemical Property:

• Appearance/Colour: Colorless to yellow liquid with a moldy pungent odor
• Vapor Pressure: 0.107mmHg at 25°C
• Melting Point: 122-125 °C(lit.)
• Refractive Index: 1.624
• Boiling Point: 221.5 °C at 760 mmHg
• PKA: 11.72±0.50(Predicted)
• Flash Point: 87.8 °C
• PSA: 66.88000
• Density: 2.451 g/cm³
• LogP: 1.18168
• Storage Temp.: Refrigerator
• Water Solubility.: Slightly soluble in water
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 241.85134
• Heavy Atom Count: 8
• Complexity: 156
• Transport DOT Label: Corrosive Poison

Purity/Quality:

99% ^*data from raw suppliers

Dibromocyanoacetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,Xn
• Hazard Codes: C,Xn
• Statements: 34-43-20/21/22
• Safety Statements: 26-36/37/39-45-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Uses -> Biocides/Disinfectants
• Canonical SMILES: C(#N)C(C(=O)N)(Br)Br
• Uses: A chemical additive to control bacterial contamination in ethanol fermentation.

Technology Process of 2,2-Dibromo-2-cyanoacetamide

There total 7 articles about 2,2-Dibromo-2-cyanoacetamide 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:

dibromomalononitrile (1885-23-0) → 2,2-dibromo-3-nitrilopropionamide (10222-01-2)

Guidance literature:

With water; copper(ll) bromide;

DOI:10.1007/BF03170519

Reference yield:

malononitrile (109-77-3) → 2,2-dibromo-3-nitrilopropionamide (10222-01-2)

Guidance literature:

With water; bromine;

Reference yield:

cyanoacetic acid amide (107-91-5) → 2,2-dibromo-3-nitrilopropionamide (10222-01-2)

Guidance literature:

With water; bromine;

upstream raw materials:

dibromomalononitrile

malononitrile

cyanoacetic acid amide

water

Downstream raw materials:

1,1,2,2-tetracarboethoxy-ethylene

tetraethyl ethane-1,1,2,2-tetracarboxylate

4-bromo-N,N-dimethylaniline

2,2-dibromomalonamide

Refernces

• 1、 Haverbeke,Herman. "". . p. 959,960,963. Retrieved 1975.
• 2、 -. "Aqueous isothiazolone formulation". . . Retrieved 2008/06/13.