5-Bromo-2,4-difluorophenol - ≥96% , CAS No.355423-48-2

CAS: 355423-48-2 Cat. No.: B183979 Formule: C6H3BrF2O Poids moléculaire: 209 Numéro CE: 823-486-3

GRADE & PURITY ≥96%

Synonyms

D79198 | 5-Bromo-2,4-difluorophenol | 5-bromo-2,4-difluoro-phenol | AKOS015908276 | SY268950 | SCHEMBL2916768 | DTXSID90431465 | ZLUWZDGMZGVBGM-UHFFFAOYSA-N | PS-10217 | MFCD20231458 | AMY17193 | FT-0700894 | EN300-220385

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

D79198 | 5-Bromo-2,4-difluorophenol | 5-bromo-2,4-difluoro-phenol | AKOS015908276 | SY268950 | SCHEMBL2916768 | DTXSID90431465 | ZLUWZDGMZGVBGM-UHFFFAOYSA-N | PS-10217 | MFCD20231458 | AMY17193 | FT-0700894 | EN300-220385

Spécifications et pureté

≥96%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥96%

Noms et identifiants

• Sourires canoniques: C1=C(C(=CC(=C1Br)F)F)O
• IUPAC Name: 5-bromo-2,4-difluorophenol
• InChIKey: ZLUWZDGMZGVBGM-UHFFFAOYSA-N
• INCHI: 1S/C6H3BrF2O/c7-3-1-6(10)5(9)2-4(3)8/h1-2,10H
• Isomères SMILES: C1=C(C(=CC(=C1Br)F)F)O
• Poids moléculaire: 209
• Reaxy-Rn: 11439333
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11439333&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: Halophenols
• Intermediate Tree Nodes: Fluorophenols
• Direct Parent: P-fluorophenols
• Alternative Parents: O-fluorophenols M-bromophenols 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-bromophenol - 2-fluorophenol - 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
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥96% 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 355423-48-2, the molecular formula is C6H3BrF2O, and the molecular weight is 209 g/mol. InChIKey ZLUWZDGMZGVBGM-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.