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Merck
CN

189979

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
UNSPSC Code:
12142201
NACRES:
NA.21
PubChem Substance ID:
24851409
MDL number:
MFCD00003286
Beilstein/REAXYS Number:
1908468

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Product Name

N,N-Dimethylformamide-d7, ≥99.5 atom % D

InChI

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

SMILES string

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

InChI key

ZMXDDKWLCZADIW-YYWVXINBSA-N

isotopic purity

≥99.5 atom % D

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

Quality Level

200

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Application

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

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.

Other Notes

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Danger

Hazard Classifications

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

Storage Class

3 - Flammable liquids

wgk

WGK 2

flash_point_f

135.5 °F - closed cup

flash_point_c

57.5 °C - closed cup

Regulatory Information

危险化学品
美国出口管控产品
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Lot/Batch Number
MBBF1147
MBBF1146
MBBD3719
MBBD3716
MBBD3710

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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)
Małgorzata Fabijańska et al.
Dalton transactions (Cambridge, England : 2003), 44(3), 938-947 (2014-08-12)
This paper describes the synthesis of trans-bis-(3-aminoflavone)dichloridoplatinum(ii) (trans-Pt(3-af)2Cl2; TCAP) for use as a potential anticancer compound, and the evaluation of its structure by elemental and spectral analyses, and X-ray crystallography. The complex demonstrated a significant cytotoxic effect against human and
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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.

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