Acetonitrile(ACN) - UltraPureChrom™, for UHPLC-MS , CAS No.75-05-8

CAS: 75-05-8 Cat. No.: A433532 Fórmula: C₂H₃N Peso molecular: 41.05 Beilstein Registry Number: 741857 Número CE: 200-835-2

GRADE & PURITY UltraPureChrom™, for UHPLC-MS

Synonyms

ACETONITRILE | ace-tonitrile | aceto-nitrile | DTXCID909 | acetonitnle | Acetonitril

Storage

Room temperature

Shipped In

FedEx DG Service

Visão geral

General Description

Acetonitrile is a polar aprotic solvent, which is used as an intermediate in organic synthesis. It has a low viscosity, high elution strength and miscibility in water that make it viable in many chromatography systems. It can also be utilized in spectrophotometric and fluorimetric technques.

Application

Acetonitrile, an organic solvent, is used as a mobile phase/extraction solvent in the ultra-high performance liquid chromatorgraphy − tandem mass spectrometry (UHPLC-MS) analysis of pesticides in tobacco samples. It can be potentially used with a reverse-phase column to determine the concentration of diclofenac (DCF). It can also be used to determine the levels of serum imatinib and N -desmethyl imatinib.(5)

Specifications

Sinónimos

ACETONITRILE | ace-tonitrile | aceto-nitrile | DTXCID909 | acetonitnle | Acetonitril

Especificações e pureza

UltraPureChrom™, for UHPLC-MS

Condições de armazenamento de armazenamento

Room temperature

Enviado em

FedEx DG Service

Grau

for UHPLC-MS, UltraPureChrom™

Nomes e identificadores

Sorrisos canónicos

CC#N

IUPAC Name

acetonitrile

InChIKey

WEVYAHXRMPXWCK-UHFFFAOYSA-N

INCHI

1S/C2H3N/c1-2-3/h1H3

SMILES isoméricas

CC#N

WGK Alemanha

2

Número UN

1648

Grupo de embalagem

II

Peso molecular

41.05

Beilstein

741857

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass Organic cyanides

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Organic cyanides
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitriles
• Alternative Parents: Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Nitrile - Carbonitrile - Organopnictogen compound - Hydrocarbon derivative - Aliphatic acyclic compound
• Descrição: This 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: aliphatic nitrile

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Alvos associados (não humanos)

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Índice de refração: 1.343-1.345
• Ponto de inflamação (°C): 2 °C
• Ponto de ebulição (°C): 81-82°C
• Ponto de fusão (°C): -46°C
• Peso molecular: 41.050 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 41.0265 Da
• Monoisotopic Mass: 41.0265 Da
• Topological Polar Surface Area: 23.800 Ų
• Heavy Atom Count: 3
• Formal Charge: 0
• Complexity: 29.300
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1