NMR Solvents and Consumables

Deuterated NMR Solvents

NMR Solvents Data Chart and Storage and Handling Information

CIL’s NMR Solvent Data Chart provides customers with useful information, such as 1H chemical shift (ppm from TMS), 13C chemical shift (ppm from TMS), density, melting and boiling points, and molecular weight for more than 15 of our most popular NMR solvents.

  • NMR Solvents Data Chart and Storage and Handling Information
  • Use and Handling of NMR Solvents
  • Deuterated Chloroform
  • Chemical Shifts of Selected Compounds
 

Our Deuterated NMR Solvent production team has developed proprietary methods, which guarantee our customers the highest chemical and isotopic purity available. CIL was the first company to offer the convenience of a 0.75 mL package size of the most popular standard-grade solvents for use with most 5 mm NMR sample tubes and the convenient 0.25 mL ampoules for use with microprobes to reduce solid waste. CIL is committed to providing the highest quality available anywhere.

Frequently Asked Questions 

 

 

Frequently Asked Questions 

Can CIL provide custom solvent mixtures?

Yes. Often solvent users require a specific custom mixture of two or more solvents.  CIL’s expert packaging technicians are uniquely qualified to formulate custom solvent preparations

My DMSO-d6 appears to be a solid. What can I do?

Dimethyl Sulfoxide (DMSO) has a melting point of 18oC, freezing close to room temperature. Sometimes when it is delivered it will be in a solid state. To return the material to a liquid state, thaw it in a warm water bath.  Care must be taken to prevent water contamination.

Are there any special precautions to be taken with solvents in septum bottles?

CIL recommends the refrigeration of solvents packaged in septum bottles to extend the product shelf life, high purity and ensure product quality.  Septum bottles should be tested after 6 months.

How can I measure acidity levels in D2O solutions?

To measure acidity in deuterium oxide solutions: calculate pD by adding 0.4 to the reading taken from the glass electrode pH meter (Glasoe andLong, J. Phys. Chem., 64, 188 (1960)).

Should my NMR solvents be handled in a special way?

In order to avoid isotopic contamination, some products, especially deuterated compounds, should be handled under an inert atmosphere, such as dry nitrogen or argon.

Does CIL offer any depleted compounds?

CIL also specializes in 13C-depleted and deuterium-depleted compounds. Please contact us if you do not see the 13C depleted/deuterium depleted compound of interest.

Does my solvent require special storage?

We recommend that chloroform, diethyl ether, diglyme, tetrahydrofuran, and TMS be stored in the refrigerator.

Can I get a copy of the NMR Solvent Data Chart?

The NMR Solvent Data Chart is available as a laminated reference document.  Please contact your Customer Account Coordinator to request a copy.

How do you calculate the molarity of DLM-45, Sodium deuteroxide (D, 99.5%)?

DLM-45, Sodium deuteroxide (D, 99.5 %),

Molarity Calculation from Weight Percentage

DLM-45 has a concentration of 40 % NaOD in D2O, by weight (w/w).  This means 40 g NaOD per 100 g of solution.  The D2O accounts for the remaining 60 g of the solution.  

What is the molarity of this solution?  Molarity (M) is defined as the number moles of solute, per liter (L) of solution. 

𝑀𝑜𝑙𝑎𝑟𝑖𝑡𝑦 ,𝑀.= ,𝑚𝑜𝑙𝑒𝑠 𝑜𝑓 𝑠𝑜𝑙𝑢𝑡𝑒-𝑙𝑖𝑡𝑒𝑟𝑠 𝑜𝑓 𝑠𝑜𝑙𝑢𝑡𝑖𝑜𝑛.

Taking 40 g of solute (NaOD) and its molecular weight (MW = 41.01 g/mol),  we divide mass by MW to get 0.9754 mols for 40 g NaOD.

40 𝑔 𝑁𝑎𝑂𝐷 × ,1 𝑚𝑜𝑙 𝑁𝑎𝑂𝐷-41.01 𝑔 𝑁𝑎𝑂𝐷.=0.9754 𝑚𝑜𝑙𝑠 𝑁𝑎𝑂𝐷

We need the density of deuterium oxide, D2O, to find what volume 60 g will occupy.  The density is 1.103 g/mL, so 1L D2O will weigh 1,103 g.  We get the volume of D2O in L, by dividing the mass, 60 g D2O, by the mass of one liter, to get 0.0544 L D2O. 

60 𝑔 ,𝐷-2.𝑂 ×,1 𝐿 ,𝐷-2.𝑂-1,103 𝑔 ,𝐷-2.𝑂 .=0.0544 𝐿 ,𝐷-2.𝑂

Assuming the NaOD occupies no additional volume in the solution,  the volume of D2O is equal to the volume of the solution.  Dividing 0.9754 mols NaOD by 0.0544 L gives 17.93 moles NaOD per L, about 18 M.

,0.9754 𝑚𝑜𝑙𝑠 𝑁𝑎𝑂𝐷-0.0544 𝐿.=17.93 ,𝑚𝑜𝑙𝑠-𝑙𝑖𝑡𝑒𝑟. ≈18 𝑀

We have assumed that slight variations of MW due to isotopic enrichment, and density variations with temperature can be ignored.  

Does CIL have a D2O recovery program?

Yes, CIL has a D2O recovery program.

Some of the benefits of participation in this program include a credit to your CIL account and avoidance of waste disposal fees.

To learn more about this program, please contact your customer service representative at 1-800-322-1174 (North America) or 1-978-749-8000 (International)

Kevin Millis, PhD

Kevin Millis, PhD

Senior Scientist, Application Development Manager

Kevin Millis, PhD, is the Senior Scientist and Market Development Manager for all NMR and Mass Spectrometry product lines. Kevin is responsible for Technical Services both internally and externally for all CIL customers as well as being responsible for the application and market development for the CIL products.

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