Methoxyacetonitrile - ≥98%(GC) , CAS No.1738-36-9

CAS: 1738-36-9 Cat. No.: M158576 Formule: C₃H₅NO Poids moléculaire: 71.08 Beilstein Registry Number: 1738010 Numéro CE: 217-092-5

GRADE & PURITY ≥98%(GC)

Synonyms

EINECS 217-092-5 | M0103 | Acetonitrile, 2-methoxy- | F0001-0631 | J-509849 | FT-0658106 | 2-methoxy acetonitrile | Acetonitrile, methoxy- | Methoxyacetonitrile, >=98% | Z86023357 | DTXSID2061937 | NSC26905 | NSC-26905 | 2-methoxyacetonitrile | 2-methoxy-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonymes

EINECS 217-092-5 | M0103 | Acetonitrile, 2-methoxy- | F0001-0631 | J-509849 | FT-0658106 | 2-methoxy acetonitrile | Acetonitrile, methoxy- | Methoxyacetonitrile, >=98% | Z86023357 | DTXSID2061937 | NSC26905 | NSC-26905 | 2-methoxyacetonitrile | 2-methoxy-

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%(GC)

Noms et identifiants

Pubchem Sid

488184925

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184925

Sourires canoniques

COCC#N

IUPAC Name

2-methoxyacetonitrile

InChIKey

QKPVEISEHYYHRH-UHFFFAOYSA-N

INCHI

1S/C3H5NO/c1-5-3-2-4/h3H2,1H3

Isomères SMILES

COCC#N

WGK Allemagne

3

Numéro ONU

1993

Groupe d'emballage

III

Poids moléculaire

71.08

Beilstein

1738010

Reaxy-Rn

1738014

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1738014&ln=

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: Dialkyl ethers Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Nitrile - Carbonitrile - Ether - Dialkyl ether - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic acyclic compound
• Description: 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: Not available

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

Propriétés chimiques et physiques

• Solubilité: Insoluble in water
• Sensibilité: Air Sensitive
• Indice de réfraction: 1.38
• Point d'éclair (°F): 89.6 °F
• Point d'éclair (°C): 32 °C
• Point d'ébullition (°C): 119 °C
• Poids moléculaire: 71.080 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 71.0371 Da
• Monoisotopic Mass: 71.0371 Da
• Topological Polar Surface Area: 33.000 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 51.200
• 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