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GB/T 45548-2025Determination of isotope abundance of deuterated reagents — Nuclear magnetic resonance spectroscopy (English PDF)

氘代试剂同位素丰度的测定 核磁共振波谱法

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Issued by

SAMR; SAC

Level / Type

National · Recommended

Issue date

April 25, 2025

Implementation date

April 25, 2025

Scope

GB/T 45548-2025 is the English-translated version of 氘代试剂同位素丰度的测定 核磁共振波谱法.

GB/T 45548-2025 is the Chinese national standard covering the isotopic purity of an NMR solvent — the nuclear magnetic resonance measurement, the deuterated sites, which a reagent such as toluene-D8 has more than one of, a labelled methyl and a labelled ring that behave differently, the abundance expressed as atom percent of the element, and the twenty-one reagents the method covers, from chloroform-D and heavy water to dimethyl sulfoxide-D6 and tetrahydrofuran-D8, all at 98 percent purity or above. First edition, in force from 25 April 2025. Issued on 25 April 2025, it has been in force since 25 April 2025.

Document preview — GB/T 45548-2025

National Standard of the People's Republic of China

ICS
07.080
Classification
A 40

Issued by: State Administration for Market Regulation; Standardization Administration of the PRC

Contents

  • Foreword
  • 1 Scope
  • 2 Normative references
  • 3 Terms and definitions
  • 3.1 Stable isotope
  • 3.2 Isotope abundance
  • 3.3 Deuterated reagent
  • 3.4 Deuterated sites
  • 3.5 Deuterium-labeled compound

Foreword

This document is in accordance with the provisions of GB/T 1.1-2020 "Guidelines for standardization work Part 1: Structure and drafting rules for standardization documents" Drafting.

Please note that some of the contents of this document may involve patents. The publishing organization of this document does not assume the responsibility for identifying patents.

This document was proposed and coordinated by the National Technical Committee for Biochemical Testing Standardization (SAC/TC387).

This document was drafted by: Shanghai Research Institute of Chemical Industry Co., Ltd., China Testing Technology Research Institute, Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences Institute of Metrology and Testing Technology, Shanghai Institute of Metrology and Testing Technology, Ningbo Cuiying Chemical Technology Co., Ltd., East China University of Science and Technology, China Institute of Metrology, Wuhan University of Science and Technology Hanzhong Science Oxford Spectroscopy Technology Co., Ltd., East China Normal University, Shenzhen Shenjian Group Medical Testing Laboratory, Guangzhou Jiatu Technology Co., Ltd.

Company, Shanghai Kangernuo Biopharmaceutical Co., Ltd.

The main drafters of this document are: Lei Wen, Xie Long, Sun Wen, Zhou Lihua, Wu Tao, Yu Jinglan, Wang Wei, Guo Yinlong, Zhao Yameng, Gao Zhanghua, Li Jie, Wu Liqing, Ma Lixia, Xu Zengyi, Zhang Weibing, Yan Xianzhong, Zhang Lei, Liu Yahui, Shan Yifan, Liang Dacheng, Wu Jian, Gan Li, Shen An, Xiao Weimin, Yang Fan, Wu Gaosheng.

Determination of isotopic abundance of deuterated reagents Nuclear magnetic resonance spectroscopy

1 Scope

This document describes a method for determining the isotopic abundance of deuterated reagents using nuclear magnetic resonance spectroscopy.

This document applies to chloroform-D, dichloromethane-D2, chlorobenzene-D5, iodobenzene-D5, bromobenzene-D5, acetone-D6, benzene-D6, toluene-D8, methanol- D4, ethanol-D6, heavy water, dimethyl sulfoxide-D6, tetrahydrofuran-D8, p-toluenesulfonyl methyl ester-D3, bromobutrol-D9, di(2-phthalic acid) Butoxyethyl) ester-D4, methyl parahydroxybenzoate-branched-D3, isovanillin-D3, dimethyl phthalate-D4, ethanol-D, acetic acid-D Isotope abundance determination of 21 deuterated reagents (purity >= 98%). For the determination of isotope abundance of other deuterated reagents, please refer to this document.

2 Normative references

This document has no normative references.

3 Terms and definitions

The following terms and definitions apply to this document.

3.1 Stable isotope

An isotope of an element that does not undergo or is very unlikely to undergo radioactive decay, that is, an isotope of an element with a half-life greater than 1015 years.

[Source. GB/T 37750-2019, 3.1.12, modified]

3.2 Isotope abundance

The percentage of atoms of a particular isotope in a mixture of isotopes of an element to the total number of atoms of that element.

Note. It is expressed as atom% A, where A is the code for the element symbol of the specific isotope.

[Source. GB/T 37750-2019, 3.1.13, modified]

3.3 Deuterated reagent

A reagent that allows identification of a compound in which one or more hydrogen atoms have been replaced by a stable isotope, deuterium (2H or D).

[Source. GB/T 37750-2019, 3.3.11]

3.4 Deuterated sites

A site in a compound formed when hydrogen atoms with different chemical shifts are replaced by deuterium atoms.

Note. For example, benzene-D6 has a single deuterium-labeled site; toluene-D8 has multiple deuterium-labeled sites, including two deuterium-labeled sites. a deuterium-labeled methyl group and a deuterium-labeled phenyl group.

3.5 Deuterium-labeled compound

A compound labeled with deuterium atoms replacing all hydrogen atoms in the compound molecule.

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This preview omits tables, figures, formulas and parts of the technical clauses. The complete document — 15 pages — is available in the English PDF.

Editions of GB/T 45548

EditionTitleRevisionStatus
GB/T 45548-2025Determination of isotope abundance of deuterated reagents - Nuclear magnetic resonance spectroscopycurrent editionCurrent

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