Acetonitrile(ACN) - AR, ≥99%(GC) , CAS No.75-05-8

CAS: 75-05-8 Cat. No.: A104443 Summenformel: C₂H₃N Molekulargewicht: 41.05 Beilstein Registry Number: 741857 EG-Nummer: 200-835-2

GRADE & PURITY AR, ≥99%(GC)

Synonyms

ACN | Acetonitril (GERMAN, DUTCH) | ACETONITRILE | ace-tonitrile | aceto-nitrile | acetonitrile- | DTXCID909 | acetonitnle | bmse000826 | methylcyanide | methylnitrile | NSC7593 | NSC-7593 | ACETONITRILE [MI] | EC 200-835-2 | ACETONITRILE (II) | ACETONITR

Storage

Room temperature

Shipped In

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Specifications

Synonyme

ACN | Acetonitril (GERMAN, DUTCH) | ACETONITRILE | ace-tonitrile | aceto-nitrile | acetonitrile- | DTXCID909 | acetonitnle | bmse000826 | methylcyanide | methylnitrile | NSC7593 | NSC-7593 | ACETONITRILE [MI] | EC 200-835-2 | ACETONITRILE (II) | ACETONITR

Spezifikationen & Reinheit

AR, ≥99%(GC)

Storage

Room temperature

Verschickt in

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Note

AR

Reinheit

≥99%(GC)

Namen und Kennungen

• Pubchem Sid: 508811850
• Kanonisches Lächeln: CC#N
• IUPAC Name: acetonitrile
• InChIKey: WEVYAHXRMPXWCK-UHFFFAOYSA-N
• INCHI: 1S/C2H3N/c1-2-3/h1H3
• Isomere SMILES: CC#N
• WGK Deutschland: 2
• UN-Nummer: 1648
• Verpackungsgruppe: II
• Molekulargewicht: 41.05
• Beilstein: 741857

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Klasse: 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
• Beschreibung: 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

Zugehörige Ziele (nicht menschlich)

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.343-1.345
• Flammpunkt (°C): 2 °C
• Siedepunkt (°C): 81-82°C
• Schmelzpunkt (°C): -46°C
• Molekulargewicht: 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