anhydrous Acetonitrile(ACN) - ≥99.8%, H2O≤0.005% , CAS No.75-05-8

CAS: 75-05-8 Cat. No.: A119013 Formula: C₂H₃N Peso molecolare: 41.05 Beilstein Registry Number: 741857 Numero EC: 200-835-2

GRADE & PURITY ≥99.8%, H2O≤0.005%

Synonyms

Acetonitril (GERMAN, DUTCH) | ACETONITRILE | ace-tonitrile | aceto-nitrile | acetonitrile- | DTXCID909 | acetonitnle | Acetonitrile 1000 microg/mL in Methanol | Acetonitrile, puriss., 95% | Acetonitrile, Environmental Grade | Acetonitrile, for DNA synthes

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Sinonimi

Acetonitril (GERMAN, DUTCH) | ACETONITRILE | ace-tonitrile | aceto-nitrile | acetonitrile- | DTXCID909 | acetonitnle | Acetonitrile 1000 microg/mL in Methanol | Acetonitrile, puriss., 95% | Acetonitrile, Environmental Grade | Acetonitrile, for DNA synthes

Specifiche e purezza

≥99.8%, H2O≤0.005%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

FedEx DG Service

Purezza

≥99.8%

Nomi e identificatori

Pubchem Sid

508813586

Sorrisi canonici

CC#N

IUPAC Name

acetonitrile

InChIKey

WEVYAHXRMPXWCK-UHFFFAOYSA-N

INCHI

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

Isomeri SMILES

CC#N

WGK Germania

2

Numero UN

1648

Gruppo di imballaggio

II

Peso molecolare

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
• Descrizione: 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

Obiettivi associati (non umani)

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.343-1.345
• Punto di infiammabilità (°C): 2 °C
• Punto di ebollizione (°C): 81-82°C
• Punto di fusione (°C): -46°C
• Peso molecolare: 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