4,5-Difluorobenzene-1,2-diol - ≥97% , CAS No.147300-08-1

CAS: 147300-08-1 Cat. No.: D191005 Peso molecular: 146.09

GRADE & PURITY ≥97%

Synonyms

MFCD08458183 | 1,2-Benzenediol,4,5-difluoro-(9CI) | 4,5-Difluorocatechol | DTXSID40163663 | SCHEMBL19667454 | Benzene-1,2-diol, 4,5-difluoro- | 1,2-Benzenediol, 4,5-difluoro- | I11312 | 1,2-Difluoro-4,5-dihydroxybenzene | AKOS016008739 | A808633 | C6H4F2O

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

MFCD08458183 | 1, 2-Benzenediol, 4, 5-difluoro-(9CI) | 4, 5-Difluorocatechol | DTXSID40163663 | SCHEMBL19667454 | Benzene-1, 2-diol, 4, 5-difluoro- | 1, 2-Benzenediol, 4, 5-difluoro- | I11312 | 1, 2-Difluoro-4, 5-dihydroxybenzene | AKOS016008739 | A808633 | C6H4F2O

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1=C(C(=CC(=C1F)F)O)O
• IUPAC Name: 4,5-difluorobenzene-1,2-diol
• InChIKey: WSCBUHJBHHOPRI-UHFFFAOYSA-N
• INCHI: 1S/C6H4F2O2/c7-3-1-5(9)6(10)2-4(3)8/h1-2,9-10H
• Isómeros SMILES: C1=C(C(=CC(=C1F)F)O)O
• Peso molecular: 146.09
• Reaxy-Rn: 8310552
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8310552&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenols
      • Subclass Benzenediols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenols
• Subclass: Benzenediols
• Intermediate Tree Nodes: Not available
• Direct Parent: Catechols
• Alternative Parents: P-fluorophenols M-fluorophenols Fluorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl fluorides Organooxygen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Catechol - 4-halophenol - 3-halophenol - 3-fluorophenol - 4-fluorophenol - Halobenzene - Fluorobenzene - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Organofluoride - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as catechols. These are compounds containing a 1,2-benzenediol moiety.
• 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: 146.090 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 146.018 Da
• Monoisotopic Mass: 146.018 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 106.000
• 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