Chloromethane-13C

Base Information

• Chemical Name: Chloromethane-13C
• CAS No.: 19961-13-8
• Molecular Formula: CH3 Cl
• Molecular Weight: 51.4768
• European Community (EC) Number: 693-224-9
• DSSTox Substance ID: DTXSID20583926
• Nikkaji Number: J2.273.683C
• Wikidata: Q82475537
• Mol file: 19961-13-8.mol

Synonyms:Chloromethane-13C;19961-13-8;CHLOROMETHANE (13C);chloro(113C)methane;Chloro(~13~C)methane;DTXSID20583926;Chloromethane-13C, 99 atom % 13C;J-012894

Chemical Property of Chloromethane-13C

Chemical Property:

• Vapor Pressure: 3796 mm Hg ( 20 °C)
• Melting Point: −97 °C(lit.)
• Refractive Index: 1.33
• Boiling Point: −24.2 °C(lit.)
• PSA: 0.00000
• Density: 0.933 g/mL at 25 °C(lit.)
• LogP: 0.85500
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 50.9956826
• Heavy Atom Count: 2
• Complexity: 2

Purity/Quality:

98% ^*data from raw suppliers

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

Safty Information:

• Hazard Codes: F,T,F+
• Statements: 46-11-23-36/37/38-12
• Safety Statements: 53-16-26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCl
• Isomeric SMILES: [13CH3]Cl

Technology Process of Chloromethane-13C

There total 3 articles about Chloromethane-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:

methane (6532-48-5) + trifluoroacetic acid (76-05-1) → 13C-chloromethane (19961-13-8) + 13C-methyl trifluoroacetate (192064-50-9) + (13)C-dichloromethane (70110-03-1)

Guidance literature:

With potassium iodate; potassium chloride; at 180 ℃; for 2h; under 1800.18 Torr; Inert atmosphere; Sealed tube;

DOI:10.1021/ja502657g

Reference yield:

[13C]methyl iodide (4227-95-6) + (κ2-2,11-dithia[3.3](2,6)pyridinophane)PdMeCl (1355154-76-5,1438401-88-7) → 13C-chloromethane (19961-13-8) + (2,11-dithia[3.3](2,6)pyridinophane)PdMeI

Guidance literature:

In [⁽²⁾H₆]acetone; at 20 ℃; for 18h; Reagent/catalyst; Inert atmosphere; Schlenk technique; Glovebox;

DOI:10.1021/om400286j

Reference yield:

→ 13C-chloromethane (19961-13-8)

Guidance literature:

13C.Me, AlCl3 <57percent 13CH3Cl haltig>;

DOI:10.1016/0022-2852(68)80008-6

upstream raw materials:

[13C]methyl iodide

(κ²-2,11-dithia[3.3](2,6)pyridinophane)PdMeCl

methane

trifluoroacetic acid

Refernces

• 1、 Fortman, George C.,Boaz, Nicholas C.,Munz, Dominik,Konnick, Michael M.,Periana, Roy A.,Groves, John T.,Brent Gunnoe. "Selective monooxidation of light alkanes using chloride and iodate". . p. 8393 - 8401. Retrieved 2014/06/24.