2-(3-Oxetanylidene)acetonitrile - ≥95% , CAS No.1123787-67-6

CAS: 1123787-67-6 Cat. No.: O165959 Peso molecular: 95.1 Número EC: 663-674-0

GRADE & PURITY ≥95%

Synonyms

AM20020006 | 2-(3-Oxetanylidene)acetonitrile | FT-0706190 | EN300-1198089 | AS-60101 | A1-11800 | MFCD14586415 | 2-(3-Oxetanylidene)acetonitrile, 95% | DTXSID70693524 | AKOS006336771 | SY097276 | Oxetan-3-ylideneacetonitrile | Oxetan-3-ylidene-acetonitril

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

AM20020006 | 2-(3-Oxetanylidene)acetonitrile | FT-0706190 | EN300-1198089 | AS-60101 | A1-11800 | MFCD14586415 | 2-(3-Oxetanylidene)acetonitrile, 95% | DTXSID70693524 | AKOS006336771 | SY097276 | Oxetan-3-ylideneacetonitrile | Oxetan-3-ylidene-acetonitril

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504771157
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771157
• Sonrisas canónicas: C1C(=CC#N)CO1
• IUPAC Name: 2-(oxetan-3-ylidene)acetonitrile
• InChIKey: DSKHBLMKLTZNRU-UHFFFAOYSA-N
• INCHI: 1S/C5H5NO/c6-2-1-5-3-7-4-5/h1H,3-4H2
• Isómeros SMILES: C1C(=CC#N)CO1
• WGK Alemania: 3
• Peso molecular: 95.1
• Reaxy-Rn: 19504285
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19504285&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Oxetanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Oxetanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxetanes
• Alternative Parents: Oxacyclic compounds Nitriles Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oxetane - Oxacycle - Nitrile - Carbonitrile - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Cyanide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as oxetanes. These are compounds containing an oxetane ring, which is a four-member saturated aliphatic ring with an oxygen, and three carbon atoms.
• 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

Propiedades químicas y físicas

• Punto de fusión (°C): 61-65°C
• Peso molecular: 95.100 g/mol
• XLogP3: -0.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 95.0371 Da
• Monoisotopic Mass: 95.0371 Da
• Topological Polar Surface Area: 33.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 133.000
• 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