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189979

Sigma-Aldrich

N,N-Dimethylformamide-d7

≥99.5 atom % D

Synonym(s):

DMF-d7, Heptadeutero-N,N-dimethylformamide

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About This Item

Linear Formula:
DCON(CD3)2
CAS Number:
4472-41-7
Molecular Weight:
80.14
Beilstein:
1908468
MDL number:
MFCD00003286
UNSPSC Code:
12142201
PubChem Substance ID:
24851409
NACRES:
NA.21

isotopic purity

≥99.5 atom % D

Quality Level

200

Assay

≥99% (CP)

form

liquid

technique(s)

NMR: suitable

impurities

≤0.05% water
water

refractive index

n20/D 1.428 (lit.)

bp

153 °C (lit.)

density

1.03 g/mL at 25 °C (lit.)

mass shift

M+7

SMILES string

[2H]C(=O)N(C([2H])([2H])[2H])C([2H])([2H])[2H]

InChI

1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3/i1D3,2D3,3D

InChI key

ZMXDDKWLCZADIW-YYWVXINBSA-N

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General description

N,N-Dimethylformamide-d7 (DMF-d7) is a deuterated derivative of N,N-dimethylformamide. It has an isotopic purity of 99.5atom%D. It is a standard purity solvent suitable for routine NMR analyses (conducted at ambient temperatures where quality is less critical). It participates as a solvent to evaluate the solvation of 1.7molar solution of lithium chloride (LiCl) by pulsed neutron diffraction studies. Quadrupole splittings and quadrupole coupling constants of DMF-d7 oriented in a nematic phase have been evaluated by deuteron magnetic resonance studies. DMF-d7 is being considered as a potent anti-cancer drug.

Application

N,N-Dimethylformamide-d7 may be used to study its metabolism in rats by 2H NMR spectroscopy.

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Signal Word

Danger

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Eye Irrit. 2 - Flam. Liq. 3 - Repr. 1B

Storage Class Code

3 - Flammable liquids

WGK

WGK 2

Flash Point(F)

135.5 °F - closed cup

Flash Point(C)

57.5 °C - closed cup

Certificates of Analysis (COA)

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Investigation of the feasibility of directly-coupled HPLC-NMR with 2H detection with application to the metabolism of N-dimethylformamide-d7.
Farrant RD, et al.
Journal of Pharmaceutical and Biomedical Analysis, 16(1), 1-5 (1997)
Deuterium NMR spectroscopy of biofluids for the identification of drug metabolites: application to N, N-dimethylformamide.
Farrant RD, et al.
Journal of Pharmaceutical and Biomedical Analysis, 11(8), 687-692 (1993)
NMR determination of quadrupole coupling constants of deuterons in N, N-dimethylformamide-d7.
Balakrishnan NS.
Journal of Magnetic Resonance, 83(2), 233-245 (1989)
Neutron diffraction study on chloride ion solvation in water, methanol, and N,N-dimethylformamide.
Yamagami M, et al.
J. Chem. Phys. , 103(18), 8174-8178 (1995)
Seung Bin Baek et al.
Proceedings of the National Academy of Sciences of the United States of America, 112(46), 14156-14161 (2015-11-19)
Crystallographic observation of adsorbed gas molecules is a highly difficult task due to their rapid motion. Here, we report the in situ single-crystal and synchrotron powder X-ray observations of reversible CO2 sorption processes in an apparently nonporous organic crystal under
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NMR Deuterated Solvent Properties Reference Chart

Use this reference table to find the coupling values and chemical shifts of our NMR (deuterated) solvents. Melting and boiling points, molecular weight, density, and CAS number are also listed.

NMR Deuterated Solvent Properties Reference Chart

Use this reference table to find the coupling values and chemical shifts of our NMR (deuterated) solvents. Melting and boiling points, molecular weight, density, and CAS number are also listed.

NMR Deuterated Solvent Properties Reference Chart

Use this reference table to find the coupling values and chemical shifts of our NMR (deuterated) solvents. Melting and boiling points, molecular weight, density, and CAS number are also listed.

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