Acetonitrile-2-13C

Base Information

Chemical Name:Acetonitrile-2-13C
CAS No.:1722-09-4
Molecular Formula:C2H3N
Molecular Weight:42.0415
Hs Code.:
European Community (EC) Number:686-074-0,686-125-7
DSSTox Substance ID:DTXSID001315848
Nikkaji Number:J1.473.298E
Mol file:1722-09-4.mol

Synonyms:Acetonitrile-2-13C;1722-09-4;31432-55-0;Acetonitrile-1-13C;DTXSID001315848;Acetonitrile-2-13C, 99 atom % 13C;J-010806;J-018426

Suppliers and Price of Acetonitrile-2-13C

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

Sigma-Aldrich
Acetonitrile-2-13C 99 atom %
250mg
$ 233.00

American Custom Chemicals Corporation
ACETONITRILE-2-13C 95.00%
250MG
$ 867.12

Total 2 raw suppliers

Chemical Property of Acetonitrile-2-13C

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:42.029903935
Heavy Atom Count:3
Complexity:29.3

Purity/Quality:

98%+ ^*data from raw suppliers

Acetonitrile-2-13C 99 atom % ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:F,Xn,T
Statements: 11-23/24/25-36-20/21/22
Safety Statements: 26-36/37-45-27-16

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC#N
Isomeric SMILES:[13CH3]C#N

Technology Process of Acetonitrile-2-13C

There total 1 articles about Acetonitrile-2-13C 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:

: 1722-09-4
(2-13C)acetonitrile

Guidance literature:: NaCN mit 13CH3I;
DOI:10.1002/jlcr.2580160603

Reference yield: 80.0%

: 1722-09-4
(2-13C)acetonitrile

: 17974-57-1
(3E,5E,7E)-6-methyl-8-(2,6,6-trimethyl-1-cyclohexenyl)-3,5,7-octatriene-2-one

: C₁₉⁽¹³⁾CH₂₉NO

Guidance literature:: With n-butyllithium; In tetrahydrofuran; hexane; at 0 ℃; for 1h;

Reference yield:

: 366-18-7
[2,2]bipyridinyl

: 1722-09-4
(2-13C)acetonitrile

: 80937-33-3
oxygen

: copper(l) chloride

: 220632-01-9,22393-36-8
2,2'-bipyridinedichlorocopper(II)

: 1040374-49-9
[Cu(2,2'-bipyridine)(oxalate-⁽¹³⁾C)](n)

Guidance literature:: With 3,5-di-tert-butylcatechol; In acetonitrile; CuCl in the presence of 3,5-di-tert-butylcatechol or 3,5-di-tert-butyl-1,2-benzoquinone and 2,2'-bipyridine in CH3CN was reacted with O2; detected by IR spectra;
DOI:10.1021/ic800745g