Phenyl(acetonitrile-1-13C)

Base Information Edit

Chemical Name:Phenyl(acetonitrile-1-13C)
CAS No.:83552-81-2
Molecular Formula:C8H7 N
Molecular Weight:118.139
Hs Code.:
European Community (EC) Number:693-106-7
DSSTox Substance ID:DTXSID00480782
Nikkaji Number:J1.262.353D
Wikidata:Q82315852
Mol file:83552-81-2.mol

Synonyms:Phenyl(acetonitrile-1-13C);83552-81-2;DTXSID00480782;AKOS015913215;Benzyl cyanide-(cyano-13C), 99 atom % 13C

Suppliers and Price of Phenyl(acetonitrile-1-13C)

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

American Custom Chemicals Corporation
BENZYL CYANIDE-CYANO-13C 95.00%
5MG
$ 500.49

Total 1 raw suppliers

Chemical Property of Phenyl(acetonitrile-1-13C) Edit

Chemical Property:

Melting Point:−24 °C(lit.)
Refractive Index:n20/D 1.523(lit.)
Boiling Point:233-234 °C(lit.)
Flash Point:215 °F
PSA：23.79000
Density:1.024 g/mL at 25 °C
LogP:1.75268
XLogP3:1.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:118.061204063
Heavy Atom Count:9
Complexity:114

Purity/Quality:

99%13C ^*data from raw suppliers

BENZYL CYANIDE-CYANO-13C 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:T,T+
Statements: 23/24/25-36/38-26-24-22
Safety Statements: 26-36/37/39-45-36/37-28

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)CC#N
Isomeric SMILES:C1=CC=C(C=C1)C[13C]#N

Technology Process of Phenyl(acetonitrile-1-13C)

There total 6 articles about Phenyl(acetonitrile-1-13C) 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: 90.3%

: 25909-68-6
[¹³C]-potassium cyanide

: 100-44-7
benzyl chloride

: 83552-81-2
<1-13C>-phenylacetonitrile

Guidance literature:: With 18-crown-6 ether; In acetonitrile; at 18 ℃; for 12h;

Reference yield: 74.6%

: 57991-39-6
sodium [13C]cyanide

: 100-44-7
benzyl chloride

: 83552-81-2
<1-13C>-phenylacetonitrile

Guidance literature:: sodium [13C]cyanide; benzyl chloride; In ethanol; water; for 6h; Heating;

With thiourea; In ethanol; water; for 1h; Heating;
DOI:10.1002/jlcr.917