Acetonitrile-15N

Base Information

• Chemical Name: Acetonitrile-15N
• CAS No.: 14149-39-4
• Molecular Formula: C2H3N
• Molecular Weight: 42.0458
• European Community (EC) Number: 687-093-7
• Nikkaji Number: J1.857.564G
• Mol file: 14149-39-4.mol

Synonyms:Acetonitrile-15N;14149-39-4;ACETONITRILE (15N);Methyl cyanide-15N;(15N)acetonitrile;Acetonitrile-15n(8ci,9ci);Acetonitrile (15N) (IP > 90%);Acetonitrile-15N, 98 atom % 15N;AKOS015910571;J-007504

Chemical Property of Acetonitrile-15N

Chemical Property:

• Melting Point: -48 °C
• Refractive Index: n20/D 1.344(lit.)
• Boiling Point: 81-82 °C(lit.)
• Flash Point: 42 °F
• PSA: 23.79000
• Density: 0.747 g/cm³
• LogP: 0.52988
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly)
• XLogP3: 0
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 42.023583994
• Heavy Atom Count: 3
• Complexity: 29.3

Purity/Quality:

99% ^*data from raw suppliers

Acetonitrile-15N 98 atom % ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,T
• Hazard Codes: F,T,Xn
• Statements: 11-23/24/25-36/37/38-36-20/21/22
• Safety Statements: 16-26-36/37/39-45-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC#N
• Isomeric SMILES: CC#[15N]

Technology Process of Acetonitrile-15N

There total 2 articles about Acetonitrile-15N 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:

<15N>ammonium acetate (86451-35-6) → ((15)N)Acetonitril (14149-39-4)

Guidance literature:

dehydration;

DOI:10.1021/j100304a015

Reference yield:

→ ((15)N)Acetonitril (14149-39-4)

Guidance literature:

Ac2O, ¹⁵NH3, 2.) P2O5;

DOI:10.1016/0040-4020(78)88118-6

Reference yield: 87.0%

[Ru((R)-2,2'-bis(diphenylphosphino)-1,1'-binaphtyl)(MeCN)(1-3:5,6-η-C8H11)]BF4 + ((15)N)Acetonitril (14149-39-4) → [Ru((R)-2,2'-bis(diphenylphosphino)-1,1'-binaphtyl)(MeC(15)N)(1-3:5,6-η-C8H11)]BF4

Guidance literature:

In dichloromethane; Ar-atmosphere; stirring (room temp., 2 h), pptn on Et2O addn.; filtering, washing (Et2O);

DOI:10.1021/om990482r

upstream raw materials:

<15N>ammonium acetate

Downstream raw materials:

acetanilide-¹⁵N

N-(p-tolylsulfonyl)-2-phenylaziridine