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| CAS No.: | 4472-41-7 |
|---|---|
| Name: | N,N-Dimethylformamide-d7 |
| Molecular Structure: | |
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| Formula: | C3D7NO |
| Molecular Weight: | 80.0391 |
| Synonyms: | DMF-d7;Dimethylformamide-d7;Perdeuterodimethylformamide; |
| EINECS: | 224-745-8 |
| Density: | 1.03 g/cm3 (lit.) |
| Melting Point: | -61 °C |
| Boiling Point: | 153 °C at 760 mmHg |
| Flash Point: | 136 °F |
| Solubility: | Soluble in water. |
| Appearance: | liquid |
| Hazard Symbols: |
 T
|
| Risk Codes: | 61-20/21-36 |
| Safety: | 53-45 |
| Transport Information: | UN 2265 |
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Specification
The N, N-Dimethylformamide-d7, with the CAS registry number of 4472-41-7, is also known as Deuterated dimethylformamide. It is a form (called a isotopologues) of DMF ((CH3)2NCOH)in which the hydrogen atom ("H") is replaced with deuterium (heavy hydrogen) isotope ("D"). Deuterated DMF is a relatively uncommon solvent used in NMR spectroscopy. It belongs to the product categories of Analytical Chemistry; Deuterated Compounds for NMR; NMR Spectrometry. Its EINECS registry number is 224-745-8. This chemical's molecular formula is C3D7NO and molecular weight is 80.14. What's more, its IUPAC name is 1-Deuterio-N, N-bis(trideuteriomethyl)formamide. In addition, it must be stored in airtight containers and placed in a dry, ventilated place at room temperature. Meanwhile, it should be avoided contact with oxidant, reductant, ignition source.
Physical properties about N, N-Dimethylformamide-d7 are: (1)XLogP3: -1; (2)H-Bond Donor: 0; (3)H-Bond Acceptor: 1; (4)Rotatable Bond Count: 0; (5)Exact Mass: 80.096701; (6)MonoIsotopic Mass: 80.096701; (7)Topological Polar Surface Area: 20.3; (8)Heavy Atom Count: 5; (9)Formal Charge: 0; (10)Complexity: 33.9; (11)Isotope Atom Count: 7; (12)Defined Atom StereoCenter Count: 0; (13)Undefined Atom StereoCenter Count: 0; (14)Defined Bond StereoCenter Count: 0; (15)Undefined Bond StereoCenter Count: 0; (16)Covalently-Bonded Unit Count: 1; (17)Feature 3D Acceptor Count: 1; (18)Effective Rotor Count: 1; (19)Conformer Sampling RMSD: 0.4; (20)CID Conformer Count: 1.
Uses: (1)it can be used as solvent for NMR and mutagen; (2)it is used to produce other chemicals. For example, it is used to produce 2-Methyl-3-phenylthioacrolein-d1. The reaction needs reagent Phosphorus oxychloride. The reaction time is 3 hours with reaction temperature of 90 °C. The yield is about 72.8 %.
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When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes. In addition, this chemical is harmful by inhalation, in contact with skin. And it may cause harm to the unborn child. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1) Canonical SMILES: CN(C)C=O
(2) Isomeric SMILES: [2H]C(=O)N(C([2H])([2H])[2H])C([2H])([2H])[2H]
(3) InChI: InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3/i1D3,2D3,3D
(4) InChIKey: ZMXDDKWLCZADIW-YYWVXINBSA-N