2-Bromo-4,5-difluorophenol - ≥98% , CAS No.166281-37-4

CAS: 166281-37-4 Cat. No.: B124267 Fórmula: C₆H₃BrF₂O Peso molecular: 208.99 Beilstein Registry Number: 8355005 Número EC: 605-435-5

GRADE & PURITY ≥98%

Synonyms

2-Bromo-4,5-difluorophenol, 99% | EN300-224945 | InChI=1/C6H3BrF2O/c7-3-1-4(8)5(9)2-6(3)10/h1-2,10 | SCHEMBL1266166 | CL8461 | J-010267 | AM20060199 | AS-17268 | DTXSID30371250 | BBL102626 | MFCD00070751 | 2-Bromo-4,5-difluorophenol | 2-bromo-4,5-difluoro

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

2-Bromo-4,5-difluorophenol, 99% | EN300-224945 | InChI=1/C6H3BrF2O/c7-3-1-4(8)5(9)2-6(3)10/h1-2,10 | SCHEMBL1266166 | CL8461 | J-010267 | AM20060199 | AS-17268 | DTXSID30371250 | BBL102626 | MFCD00070751 | 2-Bromo-4,5-difluorophenol | 2-bromo-4,5-difluoro

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature,Argon charged

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488192791
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192791
• Sonrisas canónicas: C1=C(C(=CC(=C1F)F)Br)O
• IUPAC Name: 2-bromo-4,5-difluorophenol
• InChIKey: FCYZOOHWUOEAOX-UHFFFAOYSA-N
• INCHI: 1S/C6H3BrF2O/c7-3-1-4(8)5(9)2-6(3)10/h1-2,10H
• Isómeros SMILES: C1=C(C(=CC(=C1F)F)Br)O
• WGK Alemania: 3
• Peso molecular: 208.99
• Beilstein: 8355005
• Reaxy-Rn: 8255005
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8255005&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenols
      • Subclass Halophenols
        • Level5 Fluorophenols
          • Level6 P-fluorophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenols
• Subclass: Halophenols
• Intermediate Tree Nodes: Fluorophenols
• Direct Parent: P-fluorophenols
• Alternative Parents: O-bromophenols M-fluorophenols Fluorobenzenes Bromobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl fluorides Aryl bromides Organooxygen compounds Organofluorides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 4-fluorophenol - 3-fluorophenol - 2-bromophenol - 1-hydroxy-2-unsubstituted benzenoid - Bromobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organofluoride - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as p-fluorophenols. These are fluorophenols carrying a iodine at the C4 position of the 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

• Sensibilidad: Air sensitive
• Índice de refracción: 1.5300 - 1.5340
• Punto de inflamación (°F): 177.8 °F
• Punto de inflamación (°C): 81°C(
• Peso molecular: 208.990 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 207.934 Da
• Monoisotopic Mass: 207.934 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 122.000
• 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 ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 166281-37-4, the molecular formula is C6H3BrF2O, and the molecular weight is 208.99 g/mol. InChIKey FCYZOOHWUOEAOX-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.