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4-Nitrobenzoic-2,6-d2 Acid (CAS# 117868-95-8) is an isotopically labeled research compound that is widely utilized in various scientific and industrial applications due to its unique properties.

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  • 117868-95-8 Structure
  • Basic information

    1. Product Name: 4-NITROBENZOIC-2,6-D2 ACID
    2. Synonyms: 4-NITROBENZOIC-2,6-D2 ACID;4-Nitrobenzoic--d2 Acid
    3. CAS NO:117868-95-8
    4. Molecular Formula: C7H5NO4
    5. Molecular Weight: 169.13
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 117868-95-8.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: 4-NITROBENZOIC-2,6-D2 ACID(CAS DataBase Reference)
    10. NIST Chemistry Reference: 4-NITROBENZOIC-2,6-D2 ACID(117868-95-8)
    11. EPA Substance Registry System: 4-NITROBENZOIC-2,6-D2 ACID(117868-95-8)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 117868-95-8(Hazardous Substances Data)

117868-95-8 Usage

Uses

Used in Research and Development:
4-Nitrobenzoic-2,6-d2 Acid is used as a research compound for [application reason] in the field of [application industry]. Its isotopically labeled nature allows for enhanced tracking and analysis in various experimental setups, contributing to a better understanding of chemical reactions and processes.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 4-Nitrobenzoic-2,6-d2 Acid is used as an intermediate or building block for the synthesis of various drugs and drug candidates. Its unique properties enable the development of novel compounds with improved pharmacological profiles.
Used in Chemical Synthesis:
4-Nitrobenzoic-2,6-d2 Acid is employed as a key component in the synthesis of various organic compounds, including dyes, pigments, and other specialty chemicals. Its isotopically labeled nature provides a distinct advantage in tracing the synthesis pathways and optimizing the reaction conditions.
Used in Analytical Chemistry:
4-Nitrobenzoic-2,6-d2 Acid is utilized as a reference material or internal standard in analytical chemistry, particularly in techniques such as mass spectrometry and nuclear magnetic resonance (NMR) spectroscopy. Its distinct isotopic signature aids in the accurate quantification and identification of target compounds.
Used in Environmental Studies:
In environmental science, 4-Nitrobenzoic-2,6-d2 Acid can be employed as a tracer compound to study the fate and transport of pollutants in the environment. Its isotopically labeled nature allows for the differentiation between natural and anthropogenic sources of contamination.
Used in Material Science:
4-Nitrobenzoic-2,6-d2 Acid is used as a component in the development of advanced materials, such as polymers and composites, with tailored properties for specific applications. Its unique characteristics can contribute to the enhancement of material performance and functionality.

Check Digit Verification of cas no

The CAS Registry Mumber 117868-95-8 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,7,8,6 and 8 respectively; the second part has 2 digits, 9 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 117868-95:
(8*1)+(7*1)+(6*7)+(5*8)+(4*6)+(3*8)+(2*9)+(1*5)=168
168 % 10 = 8
So 117868-95-8 is a valid CAS Registry Number.

117868-95-8SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-NITROBENZOIC-2,6-D2 ACID

1.2 Other means of identification

Product number -
Other names 2,6-dideoxy-2,6-imino-D-mannonic acid

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:117868-95-8 SDS

117868-95-8Upstream product

117868-95-8Downstream Products

117868-95-8Relevant articles and documents

Ruthenium(II)-Catalyzed Hydrogen Isotope Exchange of Pharmaceutical Drugs by C?H Deuteration and C?H Tritiation

Müller, Valentin,Weck, Remo,Derdau, Volker,Ackermann, Lutz

, p. 100 - 104 (2020)

Well-defined ruthenium(II) biscarboxylate complexes enabled selective ortho-deuteration with weakly-coordinating, synthetically useful carboxylic acid with outstanding levels of isotopic labeling. The robust nature of the catalytic system was reflected by

Iridium-catalyzed H/D exchange

Krueger, Jens,Manmontri, Boripont,Fels, Gregor

, p. 1402 - 1408 (2005)

The scope and limitation of an iridium-catalysed H/D exchange reaction has been investigated. Our results suggest a general mechanism for specific labelling at aromatic and non-aromatic double bonds by D2O if an electron-donating group is in a 1,4-relation with the carbon where the H/D exchange takes place. Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005.

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