N,N-Dimethylformamide-d₇ - ≥99.5 atom% D , CAS No.4472-41-7

CAS: 4472-41-7 Cat. No.: N102258 Molecular Weight: 80.14 Beilstein Registry Number: 1908468 EC Number: 224-745-8

GRADE & PURITY ≥99.5 atom% D

Synonyms

DMF-d7 | Heptadeutero-N,N-dimethylformamide | 1-deuterio-N,N-bis(trideuteriomethyl)formamide | N,N-Dimethylformamide-d7, >=99.5 atom % D | Q1101322 | EINECS 224-745-8 | N,N-Dimethylformamide-d7 99.5atom%D | N,N-Dimethylformamide-d7 | AKOS015903050 | D3530

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

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.

Specifications

Synonyms

DMF-d7 | Heptadeutero-N, N-dimethylformamide | 1-deuterio-N, N-bis(trideuteriomethyl)formamide | N, N-Dimethylformamide-d7, >=99.5 atom % D | Q1101322 | EINECS 224-745-8 | N, N-Dimethylformamide-d7 99.5atom%D | N, N-Dimethylformamide-d7 | AKOS015903050 | D3530

Specifications & Purity

≥99.5 atom% D

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥99.5 atom% D

Names and Identifiers

• Canonical Smiles: CN(C)C=O
• IUPAC Name: 1-deuterio-N,N-bis(trideuteriomethyl)formamide
• InChIKey: ZMXDDKWLCZADIW-YYWVXINBSA-N
• INCHI: 1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3/i1D3,2D3,3D
• Isomeric SMILES: [2H]C(=O)N(C([2H])([2H])[2H])C([2H])([2H])[2H]
• WGK Germany: 3
• Alternate CAS: 68-12-2（unlabelled）
• UN Number: 2265
• Molecular Weight: 80.14
• Beilstein: 1908468
• Reaxy-Rn: 605365
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605365&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid amides
          • Level6 Tertiary carboxylic acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid amides
• Direct Parent: Tertiary carboxylic acid amides
• Alternative Parents: Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tertiary carboxylic acid amide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as tertiary carboxylic acid amides. These are compounds containing an amide derivative of carboxylic acid, with the general structure RN(R1)C(R2)=O (R1-R2 any atom but H).
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Soluble in water.
• Sensitivity: Hygroscopic
• Refractive Index: 1.428
• Flash Point(°F): 136.4 °F
• Flash Point(°C): 58°C
• Boil Point(°C): 153°C
• Molecular Weight: 80.140 g/mol
• XLogP3: -1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 80.0967 Da
• Monoisotopic Mass: 80.0967 Da
• Topological Polar Surface Area: 20.300 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 33.900
• Isotope Atom Count: 7
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Xie Wenhe, Ren Yuan, Jiang Fengluan, Huang Xin-Yu, Yu Bingjie, Liu Jianhong, Li Jichun, Chen Keyu, Zou Yidong, Hu Bingwen, Deng Yonghui.  (2023)  Solvent-pair surfactants enabled assembly of clusters and copolymers towards programmed mesoporous metal oxides.  Nature Communications,  14  (1): (1-9).  [PMID:38129402] [10.1038/s41467-023-44193-z]

2. Zhilong Wang, Yan Zheng, Liang Qiao, Yuanya Ma, Huajing Zeng, Jiachen Liang, Qian Ye, Kuangyu Shen, Bin Liu, Luyi Sun, Zengjie Fan.  (2024)  4D-Printed MXene-Based Artificial Nerve Guidance Conduit for Enhanced Regeneration of Peripheral Nerve Injuries.  Advanced Healthcare Materials,      [PMID:38805724] [10.1002/adhm.202401093]

3. Xin Wang, Yuzhu Pan, Yubing Xu, Tao Pang, Ziyu Wei, Dan Zhang, Ziyi Liu, Byung Seong Bae, Damian Chinedu Onwudiwe, Jing Chen, Jun Wu, Wei Lei.  (2024)  Photodiodes Made of Cascade Perovskite Single Crystals with Passivation Layers for High-Energy-Resolution γ-ray Spectroscopy.  ACS Applied Materials & Interfaces,      [PMID:39431596] [10.1021/acsami.4c11294]

4. Xin Wang, Yubing Xu, Yuzhu Pan, Shunjie Chai, Jie Wu, Jingda Zhao, Yuwei Li, Zhiwei Zhao, Qing Li, Jun Wu, Jing Chen, Byung Seong Bae, Jianming Zhou, Ying Zhu, Wei Lei, Xiaobao Xu.  (2024)  Using N–I–N Photodiodes Made of Perovskite Single Crystals for Low Noise Gamma-Ray Spectroscopy.  ACS Applied Materials & Interfaces,      [PMID:38410909] [10.1021/acsami.4c00432]

5. Vestince Balidi Mbayachi, Lixin Liang, Bao Zhang, Yaru Zhang, Guiming Zhong, Kuizhi Chen, Guangjin Hou.  (2025)  Factors determining the Li+ conductivity in high-performance PVDF-based composite electrolytes revealed by solid-state NMR.  Journal of Energy Chemistry,      [PMID:] [10.1016/j.jechem.2025.06.051]

6. Ziyi Liu, Xin Wang, Wei Lei.  (2025)  Solution-Processed-Epitaxial-Growth PIN Photodiodes Made of MAPbBr₃ Single Crystals for High Energy-Resolution Gamma-Ray Spectroscopy.  Journal of Materials Chemistry C,      [PMID:] [10.1039/D5TC02769A]

7. Cong Niu, Qingsong Zhang, Yulian Zhang, Qianqian Huang, Jinbao Chen, Xin Wang.  (2026)  Crystal Orientation-Dependent Degradation of MAPbBr 2.5 Cl 0.5 Single Crystals under X-ray Irradiation.  Journal of Materials Chemistry C,      [PMID:] [10.1039/D5TC04279H]