Acetonitrile

Base Information

Chemical Name:Acetonitrile
CAS No.:31432-55-0
Deprecated CAS:54841-72-4
Molecular Formula:C2H3 N
Molecular Weight:42.06
Hs Code.:
European Community (EC) Number:200-835-2,686-125-7
ICSC Number:0088
NSC Number:7593
UN Number:1648
UNII:Z072SB282N
DSSTox Substance ID:DTXSID7020009
Nikkaji Number:J1.438I,J2.371.304G
Wikipedia:Acetonitrile
Wikidata:Q408047,Q83054373
Metabolomics Workbench ID:52223
ChEMBL ID:CHEMBL45211
Mol file:31432-55-0.mol

Synonyms:acetonitrile;acetonitrile, 1-(14)C-labeled;acetonitrile, 3H-labeled

Suppliers and Price of Acetonitrile

Supply Marketing:

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
Acetonitrile-1-13C
10mg
$ 50.00

Sigma-Aldrich
Acetonitrile-1-13C 99 atom % 13C
500mg
$ 447.00

Sigma-Aldrich
Acetonitrile-2-13C 99 atom % 13C
250 mg
$ 241.00

Total 10 raw suppliers

Chemical Property of Acetonitrile

Chemical Property:

Melting Point:−48 °C(lit.)
Refractive Index:n20/D 1.344(lit.)
Boiling Point:81-82 °C(lit.)
Flash Point:53 °F
PSA：23.79000
Density:0.805 g/mL at 25 °C
LogP:0.52988
XLogP3:0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:0
Exact Mass:41.026549100
Heavy Atom Count:3
Complexity:29.3
Transport DOT Label:Flammable Liquid

Purity/Quality:

98%,99%, ^*data from raw suppliers

Acetonitrile-1-13C ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:F,Xn
Statements: 11-23/24/25-36-20/21/22
Safety Statements: 26-36/37-45-16

MSDS Files:: SDS file from LookChem

Useful:

Chemical Classes:Nitrogen Compounds -> Nitriles
Canonical SMILES:CC#N
Inhalation Risk:A harmful contamination of the air can be reached rather quickly on evaporation of this substance at 20 °C.
Effects of Short Term Exposure:The substance is irritating to the eyes. The substance may cause effects on the cellular respiration (inhibition). This may result in convulsions and respiratory failure. Exposure far above the OEL could cause death. The effects may be delayed. Medical observation is indicated.
Effects of Long Term Exposure:The substance may have effects on the blood. This may result in anaemia. The substance may have effects on the kidneys, liver and thyroid. This may result in impaired functions.

Technology Process of Acetonitrile

There total 5 articles about Acetonitrile 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: 63.0%