Cas no 917-71-5 (Formic Acid-d (<5% H2O))

Formic Acid-d (Deuterated Formic Acid, <5% H2O) is a deuterium-labeled derivative of formic acid, where the hydrogen atom in the carboxyl group is replaced by deuterium (DCOOD). This isotopically enriched compound is widely used as a solvent or reagent in nuclear magnetic resonance (NMR) spectroscopy, particularly for proton decoupling and as a reference standard due to its sharp singlet peak. The low water content (<5%) ensures minimal interference in sensitive analytical applications. Its high isotopic purity enhances signal resolution in deuterium-labeled studies, making it valuable in mechanistic investigations, kinetic studies, and metabolic research. The compound is also employed in organic synthesis for deuterium incorporation. Proper handling is required due to its corrosive nature and volatility.
Formic Acid-d (<5% H2O) structure
Formic Acid-d (<5% H2O) structure
Product Name:Formic Acid-d (<5% H2O)
CAS No:917-71-5
MF:CH2O2
MW:47.031542301178
MDL:MFCD00059016
CID:810590
PubChem ID:11263466
Update Time:2025-07-02

Formic Acid-d (<5% H2O) Chemical and Physical Properties

Names and Identifiers

    • Formic Acid C-D
    • Formic-d acid(6CI,7CI,8CI,9CI)
    • (2H)-formic acid
    • DE830
    • F0198
    • Formic-D acid ( in H2O) &Formic-d acid
    • Deuterioformic acid
    • T73068
    • F1159
    • Formic-d acid
    • Formic Acid C-d 98atom%D
    • Formic-d acid, 95 wt% in Water
    • MFCD00059016
    • Formic-d acid, 95 wt. % in H2O, 98 atom % D
    • 917-71-5
    • deuteroformic acid
    • FORMIC ACID (FORMYL-D, 98%) (
    • Formic Acid-d (<5% H2O)
    • MDL: MFCD00059016
    • Inchi: 1S/CH2O2/c2-1-3/h1H,(H,2,3)/i1D
    • InChI Key: BDAGIHXWWSANSR-MICDWDOJSA-N
    • SMILES: C([2H])(=O)O

Computed Properties

  • Exact Mass: 47.01180
  • Monoisotopic Mass: 47.012
  • Isotope Atom Count: 1
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 3
  • Rotatable Bond Count: 0
  • Complexity: 10.3
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 37.3A^2
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: -0.2

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.246?g/mL?at 25?°C
  • Melting Point: 8.2-8.4?°C(lit.)
  • Boiling Point: 100.8?°C(lit.)
  • Flash Point: 124?°F
  • Refractive Index: n20/D 1.369
  • PSA: 37.30000
  • LogP: 0.33670
  • Solubility: Soluble in water
  • Vapor Pressure: 36.5±0.2 mmHg at 25°C

Formic Acid-d (<5% H2O) Security Information

Formic Acid-d (<5% H2O) Pricemore >>

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Formic Acid-d (<5% H2O) Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Triethylsilane ,  Triphenylcarbenium tetrakis(pentafluorophenyl)borate Solvents: Cyclohexadienylium-1,2,3,4,6,6-d6, 5-chloro- ;  101.3 kPa, rt
1.2 Solvents: Water ;  5 min, rt
Reference
Silyl Cation Mediated Conversion of CO2 to Benzoic Acid, Formic Acid, and Methanol
Schaefer, Andre; Saak, Wolfgang; Haase, Detlev; Mueller, Thomas, Angewandte Chemie, 2012, 51(12), 2981-2984

Production Method 2

Reaction Conditions
Reference
Heterogeneous transfer hydrogenation involves pairwise hydrogen transfer from the same position of two molecules of formic acid
Yu, Jinquan; Spencer, Jonathan B., Chemical Communications (Cambridge), 1998, (18), 1935-1936

Production Method 3

Reaction Conditions
Reference
Transformation of 6-methylenetricyclo[3.2.1.02,7]oct-3-en-8-ones with formic acid into ring-methylated phenylacetic acids
Peter-Katalinic, Jasna; Zsindely, Janos; Schmid, Hans, Helvetica Chimica Acta, 1974, 57(1), 223-66

Production Method 4

Reaction Conditions
1.1 Reagents: Boron, amminetrihydro-d3-, (T-4)- Solvents: Water ;  10 bar, rt; 24 h, 50 °C
Reference
Base-assisted transfer hydrogenation of CO2 to formate with ammonia borane in water under mild conditions
Zhao, Tianxiang; Li, Cheng; Hu, Xingbang; Liu, Fei; Wu, Youting, International Journal of Hydrogen Energy, 2021, 46(29), 15716-15723

Production Method 5

Reaction Conditions
1.1 Reagents: Diammonium cerium hexanitrate Solvents: Water ;  283 K
Reference
Catalytic Oxidative Cracking of Benzene Rings in Water
Shimoyama, Yoshihiro; Ishizuka, Tomoya ; Kotani, Hiroaki ; Kojima, Takahiko, ACS Catalysis, 2019, 9(1), 671-678

Production Method 6

Reaction Conditions
1.1 Catalysts: Chromium chloride (CrCl3) ;  rt
1.2 Solvents: Water ;  rt
Reference
Comparison of Homogeneous and Heterogeneous Catalysts for Glucose-to-Fructose Isomerization in Aqueous Media
Choudhary, Vinit; Pinar, Ana B.; Lobo, Raul F.; Vlachos, Dionisios G.; Sandler, Stanley I., ChemSusChem, 2013, 6(12), 2369-2376

Production Method 7

Reaction Conditions
1.1 Reagents: Oxygen Catalysts: (OC-6-53)-[4-Fluoro-N-[[2-(hydroxy-κO)phenyl]methylene]benzenecarbohydrazonato(2… Solvents: Acetonitrile-d3 ;  24 h, 30 °C
Reference
Selective photocatalytic C-C bond cleavage under ambient conditions with earth abundant vanadium complexes
Gazi, Sarifuddin; Hung Ng, Wilson Kwok; Ganguly, Rakesh; Putra Moeljadi, Adhitya Mangala; Hirao, Hajime; et al, Chemical Science, 2015, 6(12), 7130-7142

Formic Acid-d (<5% H2O) Raw materials

Formic Acid-d (<5% H2O) Preparation Products

Formic Acid-d (<5% H2O) Suppliers

Amadis Chemical Company Limited
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(CAS:917-71-5)Formic Acid-d (<5% H2O)
Order Number:A1211707
Stock Status:in Stock
Quantity:5g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 15:59
Price ($):153.0

Additional information on Formic Acid-d (<5% H2O)

Formic Acid-d (<5% H2O) and Its Applications in Biomedical Research

Formic Acid-d (<5% H2O) is a critical compound in the field of biomedical research, particularly in the development of isotopic labeling strategies for metabolic studies and drug discovery. As a deuterium-labeled derivative of formic acid, this compound plays a pivotal role in mass spectrometry and nuclear magnetic resonance (NMR) spectroscopy applications. The CAS number 917-71-5 corresponds to this specific isotope-labeled form of formic acid, which is widely utilized in bioanalytical chemistry and pharmacokinetic studies. Recent advancements in metabolomics and proteomics have further highlighted the importance of Formic Acid-d (<5% H2O) in understanding biological systems at the molecular level.

The chemical structure of Formic Acid-d (<5% H2O) is characterized by the substitution of one hydrogen atom with deuterium (2H) in the formic acid molecule. This subtle modification allows for precise tracking of metabolic pathways and enzymatic activities in in vitro and in vivo experiments. The low water content (<5%) ensures minimal interference with analytical techniques, making it an ideal choice for high-resolution mass spectrometry applications. Recent studies have demonstrated its utility in lipidomics and glycomics, where accurate quantification of biomolecules is essential for understanding disease mechanisms.

One of the most significant applications of Formic Acid-d (<5% H2O) lies in its role as a standard reference material in metabolite profiling. A 2023 study published in Journal of Proteome Research highlighted the use of this compound in the identification of metabolic biomarkers associated with neurodegenerative diseases. The isotopic labeling technique enabled researchers to distinguish between endogenous and exogenous metabolites, providing insights into pathophysiological processes. This application underscores the importance of Formic Acid-d (<5% H2O) in precision medicine and personalized therapeutics.

In the realm of drug discovery, Formic Acid-d (<5% H2O) has been employed as a solvent and reaction medium in the synthesis of complex organic molecules. A 2024 study in Organic & Biomolecular Chemistry demonstrated its effectiveness in green chemistry approaches for the production of pharmaceutical intermediates. The low water content minimizes side reactions, while the deuterium labeling provides structural insights into reaction mechanisms. This dual functionality makes Formic Acid-d (<5% H2O) a valuable tool in synthetic biology and drug development.

The analytical applications of Formic Acid-d (<5% H2O) extend to environmental monitoring and toxicology studies. Researchers have utilized this compound to trace the bioavailability of environmental pollutants in aquatic ecosystems. A 2023 study in Environmental Science & Technology reported the use of Formic Acid-d (<5% H2O) in assessing the metabolic fate of microplastics in marine organisms. The isotopic labeling technique allowed for the differentiation of exogenous and endogenous sources of microplastic particles, offering new perspectives on ecotoxicological research.

Recent advancements in mass spectrometry have further expanded the utility of Formic Acid-d (<5% H2O) in biomedical research. The integration of high-resolution mass spectrometry (HRMS) with isotopic labeling has enabled the detection of low-abundance metabolites in complex biological matrices. A 2024 study in Analyst showcased the application of Formic Acid-d (<5% H2O) in the quantification of neurotransmitters in brain tissue. The deuterium labeling enhanced the signal-to-noise ratio, allowing for the detection of sub-femtomolar concentrations of neurotransmitters in in vivo samples. This breakthrough has significant implications for neuroscience and mental health research.

The synthetic preparation of Formic Acid-d (<5% H2O) involves the deuteration of formic acid, a process that has been optimized using isotope exchange reactions. The low water content ensures that the deuteration efficiency is maximized, while the isotopic purity is maintained. This synthetic approach has been validated through chromatographic and spectroscopic analyses, confirming the chemical integrity of the final product. The synthetic methodologies developed for Formic Acid-d (<5% H2O) have also found applications in the production of isotope-labeled compounds for pharmaceutical research and clinical diagnostics.

Looking ahead, the role of Formic Acid-d (<5% H2O) in biomedical research is expected to grow with the advancement of multi-omics technologies. The integration of metabolomics, proteomics, and genomics will require robust analytical tools, and Formic Acid-d (<5% H2O) is poised to play a critical role in this integration. The isotopic labeling technique will enable the correlation of metabolic profiles with genetic and epigenetic factors, providing a comprehensive understanding of biological systems. This multidisciplinary approach will be instrumental in precision medicine and targeted therapeutics.

In conclusion, Formic Acid-d (<5% H2O) is a versatile and essential compound in biomedical research, with applications spanning from mass spectrometry to drug discovery. Its unique properties, including the deuterium labeling and low water content, make it an invaluable tool in analytical chemistry and biological studies. As research continues to evolve, the isotopic labeling technique provided by Formic Acid-d (<5% H2O) will remain a cornerstone in the quest for understanding and treating complex diseases. The ongoing advancements in analytical methodologies and biomedical technologies will further solidify the importance of Formic Acid-d (<5% H2O) in the scientific community.

For researchers and scientists in the field of biomedical research, the availability of Formic Acid-d (<5% H2O) as a standard reference material is crucial. This compound not only facilitates accurate quantitative analysis but also enables the identification of metabolic pathways and biological processes. The isotopic labeling technique provided by Formic Acid-d (<5% H2O) is a testament to the power of isotope chemistry in modern biomedical research. As the field continues to advance, the role of Formic Acid-d (<5% H2O) will undoubtedly expand, contributing to new discoveries and innovations in healthcare and biotechnology.

Ultimately, the isotopic labeling capabilities of Formic Acid-d (<5% H2O) make it an indispensable tool in the analytical arsenal of biomedical researchers. Its applications in mass spectrometry, drug discovery, and clinical diagnostics highlight its versatility and importance. As the demand for high-resolution analytical techniques continues to grow, the isotopic purity and chemical stability of Formic Acid-d (<5% H2O) will remain a key factor in its widespread use. The scientific community is poised to benefit from the ongoing research and development surrounding Formic Acid-d (<5% H2O), ensuring its relevance and impact in the years to come.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:917-71-5)Formic Acid-d (<5% H2O)
A1211707
Purity:99%
Quantity:5g
Price ($):153.0
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