3-Chloro-6-fluorobenzo[d]isoxazole - ≥97% , CAS No.374554-89-9

CAS: 374554-89-9 Cat. No.: C193053 Fórmula: C₇H₃ClFNO Peso molecular: 171.56 Número EC: 865-115-8

GRADE & PURITY ≥97%

Synonyms

AB71606 | AKOS015999182 | EN300-250878 | SCHEMBL7124248 | DTXSID30735272 | MFCD16996105 | DS-1960 | KOCRLZPOPOTYCU-UHFFFAOYSA-N | 3-Chloro-6-fluorobenzo[d]isoxazole | 3-CHLORO-6-FLUORO-1,2-BENZOXAZOLE

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AB71606 | AKOS015999182 | EN300-250878 | SCHEMBL7124248 | DTXSID30735272 | MFCD16996105 | DS-1960 | KOCRLZPOPOTYCU-UHFFFAOYSA-N | 3-Chloro-6-fluorobenzo[d]isoxazole | 3-CHLORO-6-FLUORO-1,2-BENZOXAZOLE

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1=CC2=C(C=C1F)ON=C2Cl
• IUPAC Name: 3-chloro-6-fluoro-1,2-benzoxazole
• InChIKey: KOCRLZPOPOTYCU-UHFFFAOYSA-N
• INCHI: 1S/C7H3ClFNO/c8-7-5-2-1-4(9)3-6(5)11-10-7/h1-3H
• Isómeros SMILES: C1=CC2=C(C=C1F)ON=C2Cl
• Peso molecular: 171.56
• Reaxy-Rn: 14158432
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14158432&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzisoxazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzisoxazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzisoxazoles
• Alternative Parents: Benzenoids Aryl fluorides Aryl chlorides Isoxazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzisoxazole - Aryl chloride - Aryl fluoride - Aryl halide - Benzenoid - Heteroaromatic compound - Azole - Isoxazole - Oxacycle - Azacycle - Organochloride - Organohalogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzisoxazoles. These are aromatic compounds containing a benzene ring fused to an isoxazole ring. Isoxazole is five-membered ring with three carbon atoms, and an oxygen atom next to a nitrogen atom.
• 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: 171.550 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 170.989 Da
• Monoisotopic Mass: 170.989 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 157.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 374554-89-9, the molecular formula is C7H3ClFNO, and the molecular weight is 171.56 g/mol. InChIKey KOCRLZPOPOTYCU-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.