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

CAS: 1738-36-9 Cat. No.: M158576 Formula: C₃H₅NO Peso molecolare: 71.08 Beilstein Registry Number: 1738010 Numero EC: 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

Sinonimi

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-

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%(GC)

Nomi e identificatori

• Pubchem Sid: 488184925
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184925
• Sorrisi canonici: COCC#N
• IUPAC Name: 2-methoxyacetonitrile
• InChIKey: QKPVEISEHYYHRH-UHFFFAOYSA-N
• INCHI: 1S/C3H5NO/c1-5-3-2-4/h3H2,1H3
• Isomeri SMILES: COCC#N
• WGK Germania: 3
• Numero UN: 1993
• Gruppo di imballaggio: III
• Peso molecolare: 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
• 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: 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

Proprietà chimiche e fisiche

• Solubilità: Insoluble in water
• Sensibilità: Air Sensitive
• Indice di rifrazione: 1.38
• Punto di infiammabilità (°F): 89.6 °F
• Punto di infiammabilità (°C): 32 °C
• Punto di ebollizione (°C): 119 °C
• Peso molecolare: 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

Riferimenti

1. Jia-qi Bai, Mei Ma, Huangfei Liu, Zhangkai Qian, Durui Liu, Yuncai Zhao, Yijing Gao, Jingshuai Chen, Mengdie Cai, Song Sun.  (2025)  Efficient Cu–Ni/W20O58 Catalysts for Hydrogenation of Nitriles to Secondary Amines.  ACS Catalysis,      [PMID:] [10.1021/acscatal.5c00668]