Dibromoacetonitrile

Base Information

• Chemical Name: Dibromoacetonitrile
• CAS No.: 3252-43-5
• Molecular Formula: C2H Br2 N
• Molecular Weight: 198.845
• Hs Code.: 29269095
• European Community (EC) Number: 221-843-2
• UN Number: 3276
• UNII: VGJ91H57XU
• DSSTox Substance ID: DTXSID3024940
• Nikkaji Number: J55.000K
• Wikidata: Q27155946
• ChEMBL ID: CHEMBL1462419
• Mol file: 3252-43-5.mol

Synonyms:dibromoacetonitrile

Chemical Property of Dibromoacetonitrile

Chemical Property:

• Appearance/Colour: Clear colorless to yellow liquid
• Vapor Pressure: 2.1mmHg at 25°C
• Refractive Index: 1.538-1.543
• Boiling Point: 163.1°Cat760mmHg
• Flash Point: 31.9°C
• PSA: 23.79000
• Density: 2.434g/cm³
• LogP: 1.62588
• Storage Temp.: 0-6°C
• Sensitive.: Light Sensitive
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 198.84552
• Heavy Atom Count: 5
• Complexity: 59.3
• Transport DOT Label: Poison

Purity/Quality:

99.9% ^*data from raw suppliers

Dibromoacetonitrile ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn,T
• Statements: 20/21/22-36-22
• Safety Statements: 36/37-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Nitriles
• Canonical SMILES: C(#N)C(Br)Br

Technology Process of Dibromoacetonitrile

There total 11 articles about Dibromoacetonitrile 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:

azidoacetylene (749251-98-7) → dibromoacetonitrile (3252-43-5)

Guidance literature:

With bromine; In dichloromethane-d2; at -80 ℃;

DOI:10.1002/ejoc.201402153

Reference yield:

DL-methionine sulfone (820-10-0,1118-85-0) + bromide (10097-32-2,16759-25-4,24959-67-9) + chloroperoxidase → Bromoform (75-25-2) + dibromoacetonitrile (3252-43-5)

Guidance literature:

With dihydrogen peroxide; potassium carbonate; In phosphate buffer; Enzymatic reaction;

DOI:10.1016/S0045-6535(98)00100-3

Reference yield:

→ dibromoacetonitrile (3252-43-5)

Guidance literature:

With hydrogen bromide; at 100 ℃;

upstream raw materials:

dibromoacetamide

cyanoacetic acid

ethyl 2-cyanoacetate

DL-methionine sulfone

Downstream raw materials:

(1-Bromo-cyclohexyl)-oxo-acetonitrile

Dibromo-(1-hydroxy-cyclohexyl)-acetonitrile

2-bromobutyric acid isopropyl ester

2-bromoisovaleric acid

Refernces

• 1、 Zeng, Xiaoqing,Beckers, Helmut,Seifert, Jennifer,Banert, Klaus. "The photochemical and thermal decomposition of azidoacetylene in the gas phase, solid matrix, and solutions". . p. 4077 - 4082. Retrieved 2014/07/08.