Acetonitrile-d3 - ≥99.8 atom% D , CAS No.2206-26-0

CAS: 2206-26-0 Cat. No.: A100968 Peso molecular: 44.07 Beilstein Registry Number: 1740230 Número EC: 218-616-5
Disponible para pedir
GRADE & PURITY ≥99.8 atom% D
Synonyms
EINECS 218-616-5 | D88498 | Acetonitrile-d3, 99.8 atom % D | 2-((Hydroxyimino)methyl)-1-methylpyridin-1-ium iodide | Acetonitrile-d3, '100%', 99.96 atom % D | J-506713 | Acetonitrile-d3, >=99.8 atom % D | AKOS015904206 | Acetonitrile-d3, 99.8 atom % D, co
Storage
Protected from light,Room temperature,Argon charged,Desiccated
Shipped In
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5g
A100968-5g
3
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10×0.5ml
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10×0.75ml
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10g
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10×1g
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25g
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50g
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559,90US$
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Why this grade

≥99.8 atom% D for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Protected from light,Room temperature,Argon charged,Desiccated Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 17 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Descripción general

Product Introduction

Acetonitrile-d3 (Trideuteroacetonitrile, CD3CN) is a deuterated NMR (Nuclear Magnetic Resonance) solvent. Molecular rotational friction coefficient and magnetic relaxation times (T1) for 14N and 2D of CD3CN have been determined. It participates as solvent during the synthesis of 2-phenylindole. It serves as solvent for 1H NMR (Proton Nuclear Magnetic Resonance) and 13C NMR (Carbon-13 Nuclear Magnetic Resonance) spectral studies.


Application

Acetonitrile-d3 has been used as a deuterated solvent for the dissolution of internal standard and sample in qNMR (Quantitative Nuclear Magnetic Resonance) quantification experiments. It has also been used as the deuterated solvent in the synthesis of N-methyl indolylfulgimide, which is studied using UV-pump-IR-probe spectroscopy.

Specifications

Sinónimos
EINECS 218-616-5 | D88498 | Acetonitrile-d3, 99.8 atom % D | 2-((Hydroxyimino)methyl)-1-methylpyridin-1-ium iodide | Acetonitrile-d3, '100%', 99.96 atom % D | J-506713 | Acetonitrile-d3, >=99.8 atom % D | AKOS015904206 | Acetonitrile-d3, 99.8 atom % D, co
Especificaciones y pureza
≥99.8 atom% D
Condiciones de almacenamiento de almacenamiento
Protected from light, Room temperature, Argon charged, Desiccated
Enviado en
Normal
Pureza
≥99.8 atom% D
Nombres e identificadores
Pubchem Sid504756904
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504756904
Sonrisas canónicasCC#N
IUPAC Name2,2,2-trideuterioacetonitrile
InChIKeyWEVYAHXRMPXWCK-FIBGUPNXSA-N
INCHI1S/C2H3N/c1-2-3/h1H3/i1D3
Isómeros SMILES [2H]C([2H])([2H])C#N
WGK Alemania 2
CAS alternativo 75-05-8(Unlabeled)
Número ONU 1648
Peso molecular 44.07
Beilstein 1740230

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic nitrogen compounds
ClaseOrganonitrogen compounds
SubclassOrganic cyanides
Intermediate Tree Nodes Not available
Direct ParentNitriles
Alternative Parents Organopnictogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAliphatic acyclic compounds
Substituents Nitrile - Carbonitrile - Organopnictogen compound - Hydrocarbon derivative - Aliphatic acyclic compound
DescripciónThis compound belongs to the class of organic compounds known as nitriles. These are compounds having the structure RC#N; thus C-substituted derivatives of hydrocyanic acid, HC#N.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

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43 results found

Lot NumberCertificate TypeFechaArticulo
G2415036Certificate of AnalysisApr 03, 2026 A100968
G2229277Certificate of AnalysisFeb 04, 2026 A100968
G2229272Certificate of AnalysisFeb 04, 2026 A100968
K2329223Certificate of AnalysisSep 04, 2025 A100968
A2606083Certificate of AnalysisJul 08, 2025 A100968
I2504337Certificate of AnalysisJul 08, 2025 A100968
I2504336Certificate of AnalysisJul 08, 2025 A100968
I2504335Certificate of AnalysisJul 08, 2025 A100968
I2504332Certificate of AnalysisJul 08, 2025 A100968
F2608171Certificate of AnalysisJul 08, 2025 A100968
I2504331Certificate of AnalysisJul 08, 2025 A100968
D2507264Certificate of AnalysisMar 29, 2025 A100968
D2507269Certificate of AnalysisMar 29, 2025 A100968
D2507279Certificate of AnalysisMar 29, 2025 A100968
D2507333Certificate of AnalysisMar 29, 2025 A100968
D2507334Certificate of AnalysisMar 29, 2025 A100968
A2513193Certificate of AnalysisDec 20, 2024 A100968
A2513184Certificate of AnalysisDec 20, 2024 A100968
A2513185Certificate of AnalysisDec 20, 2024 A100968
A2513186Certificate of AnalysisDec 20, 2024 A100968
A2513191Certificate of AnalysisDec 20, 2024 A100968
A2513190Certificate of AnalysisDec 20, 2024 A100968
G2418036Certificate of AnalysisJul 06, 2024 A100968
G2415039Certificate of AnalysisJul 06, 2024 A100968
G2415038Certificate of AnalysisJul 06, 2024 A100968
G2415037Certificate of AnalysisJul 06, 2024 A100968
G2415035Certificate of AnalysisJul 06, 2024 A100968
G2229279Certificate of AnalysisMay 15, 2024 A100968
G2229278Certificate of AnalysisMay 15, 2024 A100968
G2229276Certificate of AnalysisMay 15, 2024 A100968
G2229264Certificate of AnalysisMay 15, 2024 A100968
K2109369Certificate of AnalysisAug 02, 2023 A100968
K2109374Certificate of AnalysisAug 02, 2023 A100968
K2109404Certificate of AnalysisAug 02, 2023 A100968
K2109403Certificate of AnalysisAug 02, 2023 A100968
H1930041Certificate of AnalysisMay 08, 2023 A100968
D2126045Certificate of AnalysisFeb 08, 2023 A100968
D2126043Certificate of AnalysisFeb 08, 2023 A100968
G2229314Certificate of AnalysisJul 05, 2022 A100968
G2229275Certificate of AnalysisJul 05, 2022 A100968
F2008005Certificate of AnalysisApr 25, 2022 A100968
G2313236Certificate of AnalysisNov 02, 2021 A100968
F2314411Certificate of AnalysisNov 02, 2021 A100968

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Propiedades químicas y físicas
SolubilidadMiscible with water, ethanol, diethyl ether, acetone, benzene, methanol, methyl acetate, ethyl acetate, acetamide solutions, chloroform, carbon tetrachloride, ethylene chloride and unsaturated hydrocarbons. Immiscible with saturated hydrocarbons.
SensibilidadLight sensitive;Moisture sensitive
Índice de refracción1.341 (lit.)
Punto de inflamación (°F)35.6 °F
Punto de inflamación (°C)2.00 °C
Punto de ebullición (°C)80.7°C
Punto de fusión (°C)-46 °C (lit.)
Peso molecular44.070 g/mol
XLogP30.000
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass44.0454 Da
Monoisotopic Mass44.0454 Da
Topological Polar Surface Area23.800 Ų
Heavy Atom Count3
Formal Charge0
Complexity29.300
Isotope Atom Count3
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Preguntas frecuentes y artículos
Citations of This Product
Referencias
1. Xugang Yang, Zaihao Yuan, Minghao Zhou, Feng Chen, Bo-Qing Xu, Hui Shi.  (2023)  Toward a Better Understanding of Intrinsic Activity Trends in Zr-Based Heterogeneous Catalysts for Meerwein–Pondorf–Verley Reduction of Levulinate Esters.  ACS Catalysis,      [PMID:] [10.1021/acscatal.3c02413]
2. Linjie Guan, Meiyu Liu, Honghai Liu, Li Zhang, Yiming Zhang, Yucai Qin, Binbin He, Yi Mei, Yun Zu.  (2023)  Regionally spatial framework Al distribution in MFI channels and its impact on the n-butane cracking reaction pathways.  FUEL,      [PMID:] [10.1016/j.fuel.2023.129230]
3. Dingmei Han, Meiyu Liu, Chengming Huang, Xinyu Sun, Linjie Guan, Binbin He, Yi Mei, Yun Zu.  (2023)  Uniformly stable hydroxylated cobalt(II) silicate species embedded within silicalite-1 zeolite for boosting propane dehydrogenation.  MICROPOROUS AND MESOPOROUS MATERIALS,      [PMID:] [10.1016/j.micromeso.2023.112516]
4. Xiaomei Yang, Jie Hu, Tianliang Lu, Lipeng Zhou.  (2023)  The important role of weak Brønsted acid site of Sn-β in conversion of sucrose to methyl lactate.  Molecular Catalysis,      [PMID:] [10.1016/j.mcat.2022.112908]
5. Huan Liu, Yi-Xuan Yao, Hong-Yan Shang, Da Yang, Yuan-Yu Tian.  (2022)  Iridium–aluminium trichloride co-catalysed hydroformylation–acetalization of olefins with H2O as the hydrogen source.  Reaction Chemistry & Engineering,  (4): (778-783).  [PMID:] [10.1039/D2RE00469K]
6. Mengyuan Jin, Sheng Cheng, Zhuo Yang, Yutong Luo, Yanhui Guo.  (2022)  A novel high-voltage solid electrolyte of Na3B24H23 for 4 V all-solid-state sodium battery.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2022.140904]
7. Tianliang Lu, Xianfeng You, Yanlong Zong, Yongming Xu, Xiaomei Yang, Lipeng Zhou.  (2022)  Production of γ-valerolactone from ethyl levulinate over hydrothermally synthesized Sn-Beta under mild conditions.  FUEL,      [PMID:] [10.1016/j.fuel.2022.126262]
8. Jianhui Jia, Jian-Bo Chen, Jianglong Du, Cheng Lian, Silong Xu, Honglai Liu, Shichun Li, Yu Liu.  (2022)  Self-assembled core–shell clusters in deep eutectic solvents based on tetra-n-alkylammonium cations for high dissolution of strongly hydrogen-bonded small molecules.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:35932679] [10.1016/j.jcis.2022.07.140]
9. Zhekun Chen, Weitong Pan, Dingsong Yao, Ming Gao, Yunfei Gao, Xueli Chen, Jaroslaw Krzywanski, Fuchen Wang.  (2022)  Crack evolution during the film drying process of fuel cell microporous layer ink.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2022.129283]
10. Shuang Wang, Lipeng Zhou, Beibei Gao, Yunlai Su, Xiaomei Yang.  (2022)  Synthesis of Sn-Beta by hydrothermal method: The role of seeds.  MICROPOROUS AND MESOPOROUS MATERIALS,      [PMID:] [10.1016/j.micromeso.2022.111812]
11. Muhammad Waqas Ishaq, Raziq Nawaz, Abdul Jalil, Muhammad Ali Hashmi, Tao Zheng, Lianwei Li.  (2021)  Ligand Exchange Reaction in [Co4O4]-Cobalt Cubane: A Versatile Strategy Towards the Preparation of Cobalt Cubane-based Functional Small Molecules and Polymeric Materials.  JOURNAL OF MOLECULAR STRUCTURE,      [PMID:] [10.1016/j.molstruc.2021.130216]
12. Xiaomei Yang, Liuyong Wang, Tianliang Lu, Beibei Gao, Yunlai Su, Lipeng Zhou.  (2020)  Seed-assisted hydrothermal synthesis of Sn-Beta for conversion of glucose to methyl lactate: effects of the H2O amount in the gel and crystallization time.  Catalysis Science & Technology,  10  (24): (8437-8444).  [PMID:] [10.1039/D0CY01625J]
13. Lu Zhang, Xiaoyu Liu, Jin Qiu, Xin Yao, Peiyuan Zhou, Mengqi Li.  (2014)  Preparation and Characterization of Broad-Spectrum Artificial Antibody for OPPs Based on Dummy Template Imprinting Technique.  INTERNATIONAL JOURNAL OF POLYMER ANALYSIS AND CHARACTERIZATION,      [PMID:] [10.1080/1023666X.2014.932191]
14. Junwei Yang, Xianzhen Dong, Wenying Wei, Kun Liu, Xiaopei Wu, Honglian Dai.  (2024)  An injectable hydrogel dressing for controlled release of hydrogen sulfide pleiotropically mediates the wound microenvironment.  Journal of Materials Chemistry B,      [PMID:38716615] [10.1039/D4TB00411F]
15. Jian-Jun Zhong, Lingling Zhao, Yuanxin Guo, Zhanming Li, Hua Ye, Huanan Guan, Zhiqiang Xing, Weiqing Wang.  (2024)  Cation-exchange/hydrophilic interaction mixed-mode liquid chromatographic method for analyzing the trigonelline class of bioactives in coffee beans.  JOURNAL OF FOOD COMPOSITION AND ANALYSIS,      [PMID:] [10.1016/j.jfca.2024.106011]
16. Jian Gong, Aijing Hao, Wenlu Liu, Ensheng Zhan, Wenjie Shen.  (2025)  Efficient Construction of Framework Sn Sites over SnBeta Nanocrystals for Selective Oxidation.  Journal of Physical Chemistry C,      [PMID:] [10.1021/acs.jpcc.5c01570]
17. Kai Yan, Zhihao Yu, Yingqing Li, Mengyan Guo, Yuanyu Wang, Xuebin Lu.  (2025)  Thermal Switching of Brønsted Acid Sites in Defective UiO-66 Governs the Activity of Fructose Dehydration to 5-Hydroxymethylfurfural.  Catalysis Science & Technology,      [PMID:] [10.1039/D5CY01326G]
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