5-Trichloromethyl-4,5-dihydro-5-isoxazolol - ≥97% , CAS No.34648-11-8

CAS: 34648-11-8 Cat. No.: T1349664 Peso molecular: 204.44 Número EC: 623-727-0 PubChem CID: 2782182

GRADE & PURITY ≥97%

Storage

Room temperature

Shipped In

Normal

Specifications

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1C=NOC1(C(Cl)(Cl)Cl)O
• IUPAC Name: 5-(trichloromethyl)-4H-1,2-oxazol-5-ol
• InChIKey: VHZMBXBPSPAPRH-UHFFFAOYSA-N
• INCHI: 1S/C4H4Cl3NO2/c5-4(6,7)3(9)1-2-8-10-3/h2,9H,1H2
• Isómeros SMILES: C1C=NOC1(C(Cl)(Cl)Cl)O
• WGK Alemania: 3
• PubChem CID: 2782182
• Peso molecular: 204.44

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azolines
      • Subclass Isoxazolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azolines
• Subclass: Isoxazolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoxazolines
• Alternative Parents: Oxime ethers Chlorohydrins Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Isoxazoline - Chlorohydrin - Halohydrin - Oxime ether - Azacycle - Oxacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Alkyl chloride - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as isoxazolines. These are compounds containing a five-member unsaturated aliphatic ring, with an oxygen atom adjacent to a nitrogen atoms, 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

• Peso molecular: 204.430 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 202.931 Da
• Monoisotopic Mass: 202.931 Da
• Topological Polar Surface Area: 41.800 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 166.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1