Dichloromethane-13C

Base Information

• Chemical Name: Dichloromethane-13C
• CAS No.: 70110-03-1
• Molecular Formula: CH2Cl2
• Molecular Weight: 85.9219
• European Community (EC) Number: 685-806-6
• DSSTox Substance ID: DTXSID00481158
• Nikkaji Number: J2.869.046K
• Wikidata: Q82316408
• Mol file: 70110-03-1.mol

Synonyms:Dichloromethane-13C;70110-03-1;dichloro(113C)methane;METHYLENE CHLORIDE (13C);DTXSID00481158;AKOS015913259;Dichloromethane-13C, 99 atom % 13C

Chemical Property of Dichloromethane-13C

Chemical Property:

• Melting Point: −97 °C(lit.)
• Refractive Index: n20/D 1.424(lit.)
• Boiling Point: 40 °C(lit.)
• Density: 1.341 g/mL at 25 °C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 84.9567103
• Heavy Atom Count: 3
• Complexity: 2.8

Purity/Quality:

99% ^*data from raw suppliers

Dichloromethane-13C ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T,Xn
• Statements: 45-22-36/37/38-63-40
• Safety Statements: 53-23-36/37/39-45-36/37-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(Cl)Cl
• Isomeric SMILES: [13CH2](Cl)Cl

Technology Process of Dichloromethane-13C

There total 1 articles about Dichloromethane-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: 90.0%

Mo(N[((t)Bu)(3,5-C6H3Me2)])3 + (13)C-dichloromethane (70110-03-1) → Mo(VI)(13)CH(N(t-Bu)(3,5-C6H3Me2))3

Guidance literature:

With Mg; In tetrahydrofuran-d8; byproducts: N-tert-butyl aniline; to soln. of Mo(N(t-Bu)(3,5-C6H3Me2))3 in THF-d8 added (13)CH2Cl2 under Ar; mixt. stirred for 45 min at room temp. in presence of magnesium; detn. by NMR;

DOI:10.1039/b212405j

Reference yield: 68.0%

carbon dioxide (124-38-9,18923-20-1) + 1-Phenylethanol (98-85-1,13323-81-4) + (13)C-dichloromethane (70110-03-1) → C17(13)CH20O4 (1262208-26-3) + bis(1-phenylethyl) carbonate

Guidance literature:

With caesium carbonate; In 1-methyl-pyrrolidin-2-one; at 100 ℃; under 760.051 Torr;

DOI:10.1016/j.tet.2010.10.051

upstream raw materials:

methane

trifluoroacetic acid

Downstream raw materials:

Mo(IV)Cl(N(t-Bu)(3,5-C₆H₃Me₂))3

⁽¹³⁾CH₂HfCl₂

⁽¹³⁾CH₂TiCl₂

⁽¹³⁾CH₂ZrCl₂

Refernces