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189979

Sigma-Aldrich

N,N-Dimethylformamide-d7

≥99.5 atom % D

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Synonym(s):
DMF-d7, Heptadeutero-N,N-dimethylformamide
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

WGK

WGK 2

Flash Point(F)

closed cup

Flash Point(C)

closed cup

Regulatory Information

危险化学品
美国出口管控1C298产品

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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)
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
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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