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Benzonitrile

Base Information Edit
  • Chemical Name:Benzonitrile
  • CAS No.:100-47-0
  • Molecular Formula:C7H5N
  • Molecular Weight:103.123
  • Hs Code.:29269090
  • European Community (EC) Number:202-855-7
  • ICSC Number:1103
  • NSC Number:8039
  • UN Number:2224
  • UNII:9V9APP5H5S
  • DSSTox Substance ID:DTXSID7021491
  • Nikkaji Number:J3.590D
  • Wikipedia:Benzonitrile
  • Wikidata:Q412567
  • Metabolomics Workbench ID:51548
  • ChEMBL ID:CHEMBL15819
  • Mol file:100-47-0.mol
Benzonitrile

Synonyms:benzonitrile

Suppliers and Price of Benzonitrile
Supply Marketing:Edit
Business phase:
The product has achieved commercial mass production*data from LookChem market partment
Manufacturers and distributors:
  • Manufacture/Brand
  • Chemicals and raw materials
  • Packaging
  • price
  • TRC
  • Benzonitrile
  • 100g
  • $ 165.00
  • TCI Chemical
  • Benzonitrile >99.0%(GC)
  • 25g
  • $ 19.00
  • TCI Chemical
  • Benzonitrile >99.0%(GC)
  • 500g
  • $ 30.00
  • SynQuest Laboratories
  • Benzonitrile
  • 500 g
  • $ 135.00
  • SynQuest Laboratories
  • Benzonitrile
  • 100 g
  • $ 45.00
  • Sigma-Aldrich
  • Benzonitrile ReagentPlus , 99%
  • 100ml
  • $ 28.10
  • Sigma-Aldrich
  • Benzonitrile for synthesis
  • 100 mL
  • $ 24.05
  • Sigma-Aldrich
  • Benzonitrile for HPLC, 99.9%
  • 100ml
  • $ 127.00
  • Sigma-Aldrich
  • Benzonitrile ReagentPlus , 99%
  • 1l
  • $ 72.30
  • Sigma-Aldrich
  • Benzonitrile for synthesis
  • 500 mL
  • $ 56.61
Total 108 raw suppliers
Chemical Property of Benzonitrile Edit
Chemical Property:
  • Appearance/Colour:colourless liquid 
  • Vapor Pressure:0.00786mmHg at 25°C 
  • Melting Point:-13 °C 
  • Refractive Index:n20/D 1.528(lit.)  
  • Boiling Point:191.099 °C at 760 mmHg 
  • Flash Point:71.667 °C 
  • PSA:23.79000 
  • Density:1.032 g/cm3 
  • LogP:1.55828 
  • Storage Temp.:Store below +30°C. 
  • Solubility.:10g/l 
  • Water Solubility.:10 g/L (100 ºC) 
  • XLogP3:1.6
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Rotatable Bond Count:0
  • Exact Mass:103.042199164
  • Heavy Atom Count:8
  • Complexity:103
  • Transport DOT Label:Poison
Purity/Quality:

99% *data from raw suppliers

Benzonitrile *data from reagent suppliers

Safty Information:
  • Pictogram(s): HarmfulXn 
  • Hazard Codes:Xn 
  • Statements: 21/22-38 
  • Safety Statements: 23 
MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:
  • Chemical Classes:Nitrogen Compounds -> Nitriles
  • Canonical SMILES:C1=CC=C(C=C1)C#N
  • Inhalation Risk:No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
  • Effects of Short Term Exposure:The substance is irritating to the eyes, skin and respiratory tract. The substance may cause effects on the cellular respiration. This may result in cyanosis. The effects may be delayed. Medical observation is indicated.
  • Uses The most important commercial use for benzonitrile is the synthesis of benzoguanamine, which is a derivative of melamine and is used in protective coatings and molding resins. It is used intermediate for rubber chemicals; solvent for nitrile rubber, specialty lacquers, and many resins and polymers, and for many anhydrous metallic salts.
Technology Process of Benzonitrile

There total 2490 articles about Benzonitrile 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:
Guidance literature:
With pyridine; water; copper diacetate; In N,N-dimethyl-formamide; at 30 ℃; for 24h; Further Variations:; Reaction partners; amount of water; Kinetics; Product distribution;
DOI:10.1002/adsc.200404193
Guidance literature:
With triethylamine; 2,4-Dichloro-5-nitropyrimidine; In acetonitrile; for 5h; Product distribution; Heating;
Refernces Edit
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