Cas no 1079-02-3 (Benzoic Acid-d5)

Benzoic Acid-d5 (C6D5COOH) is a deuterated analog of benzoic acid, where five hydrogen atoms are replaced with deuterium. This isotopically labeled compound is widely used as an internal standard in mass spectrometry and NMR spectroscopy due to its enhanced spectral resolution and minimal interference with non-deuterated analytes. Its high chemical purity and isotopic enrichment (>98% D) ensure reliable quantitative analysis in metabolic studies, pharmaceutical research, and environmental testing. The compound’s stability and compatibility with organic solvents make it suitable for precise calibration and trace-level detection. Benzoic Acid-d5 is particularly valuable for applications requiring minimal background noise and high reproducibility.
Benzoic Acid-d5 structure
Benzoic Acid-d5 structure
Product Name:Benzoic Acid-d5
CAS No:1079-02-3
MF:C7H6O2
MW:127.152150630951
MDL:MFCD00002400
CID:226171
Update Time:2025-05-25

Benzoic Acid-d5 Chemical and Physical Properties

Names and Identifiers

    • Benzoic-2,3,4,5,6-d5acid
    • Benzoic Acid-d5
    • Benzoic-D5 Acid
    • BENZOIC ACID-[RING-D5]
    • 1,2,3,4,5-pentadeuteriobenzoic acid
    • 2,3,4,5,6-pentadeuteriobenzoic acid
    • d5-benzoic acid
    • pentadeuterated benzoic acid
    • ring deuterated benzoic acid
    • Benzoic-d5acid (6CI,7CI,8CI,9CI)
    • Pentadeuteriobenzoic acid
    • E 210-d5
    • NSC 149-d5
    • Purox B-d5
    • Retardex-d5
    • Tenn-Plas-d5
    • VevoVitall-d5
    • Retarder BA-d5
    • Salvo Liquid-d5
    • Solvo Powder-d5
    • MDL: MFCD00002400
    • Inchi: 1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/i1D,2D,3D,4D,5D
    • InChI Key: WPYMKLBDIGXBTP-RALIUCGRSA-N
    • SMILES: OC(C1C([2H])=C([2H])C([2H])=C([2H])C=1[2H])=O

Computed Properties

  • Exact Mass: 127.06800
  • Isotope Atom Count: 5
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 104
  • 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
  • Surface Charge: 0
  • XLogP3: 1.9
  • Topological Polar Surface Area: 37.3

Experimental Properties

  • Color/Form: White or light beige crystalline powder
  • Melting Point: 120-122℃
  • Boiling Point: 249?°C(lit.)
  • PSA: 37.30000
  • LogP: 1.38480
  • Solubility: Not determined

Benzoic Acid-d5 Security Information

  • WGK Germany:3
  • Hazard Category Code: 22-37/38-41-42/43
  • Safety Instruction: S22-S26-S36
  • Hazardous Material Identification: Xn
  • Safety Term:S24/25
  • Risk Phrases:R22

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Benzoic Acid-d5 Production Method

Benzoic Acid-d5 Suppliers

Amadis Chemical Company Limited
Gold Member
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(CAS:1079-02-3)Benzoic Acid-d5
Order Number:A934445
Stock Status:in Stock
Quantity:25.0g/5.0g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 15:14
Price ($):689.0/160.0
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:1079-02-3)氘代苯甲酸
Order Number:LE25904373
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:52
Price ($):discuss personally

Additional information on Benzoic Acid-d5

Benzoic Acid-d5: Applications and Significance in Modern Chemical Research

Benzoic Acid-d5, with the chemical formula C?H?D?O?, is a deuterated derivative of benzoic acid (CAS No. 1079-02-3). This compound has gained significant attention in the field of chemical biology and pharmaceutical research due to its unique properties and applications. The introduction of deuterium atoms into the benzoic acid molecule enhances its stability and isotopic purity, making it an invaluable tool for various scientific studies.

The CAS No. 1079-02-3 of benzoic acid-d5 is a critical identifier that distinguishes it from its non-deuterated counterpart. This numerical code ensures precise identification and tracking of the compound in laboratory settings, facilitating accurate experimental outcomes. The benzoic acid-d5 derivative is particularly useful in nuclear magnetic resonance (NMR) spectroscopy, where the deuterated atoms provide a clear distinction between the target compound and other substances present in a mixture.

In recent years, the use of isotopically labeled compounds like benzoic acid-d5 has expanded significantly in pharmaceutical research. These compounds are employed to study metabolic pathways, drug interactions, and the mechanisms of enzymatic reactions. The deuterium-labeled version of benzoic acid allows researchers to monitor the degradation and absorption of drugs more effectively, providing insights that are not possible with non-deuterated analogs.

One of the most compelling applications of benzoic acid-d5 is in the field of mass spectrometry (MS). The additional mass from deuterium atoms improves the resolution and sensitivity of MS analyses, enabling researchers to detect trace amounts of compounds with high accuracy. This capability is particularly crucial in clinical diagnostics, where early detection of biomarkers can significantly impact patient outcomes.

The pharmaceutical industry has also leveraged benzoic acid-d5 in the development of new drugs. By incorporating deuterium atoms into drug molecules, researchers can enhance their pharmacokinetic properties. For instance, deuterated drugs often exhibit longer half-lives and reduced metabolic clearance, leading to more efficient therapeutic effects. This approach has been successfully applied in the development of antiviral and antibacterial agents, where sustained drug activity is essential for treatment efficacy.

Another area where benzoic acid-d5 has made a notable impact is in environmental chemistry. The compound serves as a reference standard for analyzing environmental pollutants, such as benzoic acid derivatives found in water sources. Its isotopic purity ensures that measurements are accurate and reliable, aiding in the assessment of environmental contamination levels.

The synthesis of benzoic acid-d5 involves advanced chemical techniques that require precise control over reaction conditions. Researchers often employ catalytic hydrogenation or isotopic exchange methods to introduce deuterium atoms into the benzene ring or carboxyl group. These synthetic processes highlight the compound's complexity and the expertise required to produce high-quality benzoic acid-d5 for research applications.

In conclusion, benzoic acid-d5 (CAS No. 1079-02-3) is a versatile and highly valuable compound in modern chemical research. Its applications span across pharmaceuticals, environmental science, and analytical chemistry, underscoring its importance in advancing scientific knowledge and innovation. As research methodologies continue to evolve, the demand for isotopically labeled compounds like benzoic acid-d5 is expected to grow, further solidifying its role as a cornerstone in scientific exploration.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:1079-02-3)Benzoic Acid-d5
A934445
Purity:99%/99%
Quantity:25.0g/5.0g
Price ($):689.0/160.0
Email
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:1079-02-3)氘代苯甲酸
LE25904373
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
Email