Clorhidrato de O-(2,3,4,5,6-pentafluorobencil)hidroxilamina - ≥98% , CAS No.57981-02-9

CAS: 57981-02-9 Cat. No.: P113762 Peso molecular: 249.57 Beilstein Registry Number: 4031190 Número EC: 261-057-7

GRADE & PURITY ≥98%

Synonyms

Hidrocloruro de O-[(2,3,4,5,6-pentafluorofenil)metil]hidroxilamina; clorhidrato | Reactivo Florox | Hidrocloruro de O-((Perfluorofenil)metil)hidroxilamina | Hidrocloruro de O-(2,3,4,5,6-Pentafluorobencil)hidroxilamina para derivatización en GC | Hidroclor

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

para la preparación de oxima

Specifications

Sinónimos

Hidrocloruro de O-[(2, 3, 4, 5, 6-pentafluorofenil)metil]hidroxilamina; clorhidrato | Reactivo Florox | Hidrocloruro de O-((Perfluorofenil)metil)hidroxilamina | Hidrocloruro de O-(2, 3, 4, 5, 6-Pentafluorobencil)hidroxilamina para derivatización en GC | Hidroclor

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488187670
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187670
• Sonrisas canónicas: C(C1=C(C(=C(C(=C1F)F)F)F)F)ON.Cl
• IUPAC Name: O-[(2,3,4,5,6-pentafluorophenyl)methyl]hydroxylamine;hydrochloride
• InChIKey: HVMVKNXIMUCYJA-UHFFFAOYSA-N
• INCHI: 1S/C7H4F5NO.ClH/c8-3-2(1-14-13)4(9)6(11)7(12)5(3)10;/h1,13H2;1H
• Isómeros SMILES: C(C1=C(C(=C(C(=C1F)F)F)F)F)ON.Cl
• WGK Alemania: 3
• Peso molecular: 249.57
• Beilstein: 4031190
• Reaxy-Rn: 4031190
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4031190&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorobenzenes
• Alternative Parents: Aryl fluorides Organooxygen compounds Organofluorides Organic nitrogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Fluorobenzene - Aryl halide - Aryl fluoride - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.
• 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

• Solubilidad: Soluble in water
• Punto de fusión (°C): 212-218°C
• Peso molecular: 249.560 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 248.998 Da
• Monoisotopic Mass: 248.998 Da
• Topological Polar Surface Area: 35.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 179.000
• 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: 2

XLogP3

Referencias

1. Xiaoji Cao, Mei Fang, Danqi Dong, Beibei Ye, Jiahui Xu, Xuemin Ye, Weimin Mo.  (2020)  Dispersive liquid–liquid extraction based on magnetic Pickering emulsion followed by gas chromatography–tandem mass spectrometry for the simultaneous determination of aldehydes in environmental water samples.  JOURNAL OF SEPARATION SCIENCE,  43  (12): (2401-2408).  [PMID:32160648] [10.1002/jssc.201901150]