4-Bromo-2,6-difluorophenol - ≥97% , CAS No.104197-13-9

CAS: 104197-13-9 Cat. No.: B120803 Summenformel: C₆H₃BrF₂O Molekulargewicht: 208.99 Beilstein Registry Number: 8543473 EG-Nummer: 642-788-4

GRADE & PURITY ≥97%

Synonyms

2,6 difluoro-4-bromophenol | 4-Bromo-2,6-difluorophenol | 4-bromo-2,6-difluoro-phenol | 2.6-difluoro-4-bromophenol | 2,6-difluoro-4-bromophenol | 2,6-difluoro-4-bromo-phenol | GPRPSJPFAAGLCA-UHFFFAOYSA-N | J-507468 | AM20020134 | AS-17680 | FT-0617742 | M

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

2,6 difluoro-4-bromophenol | 4-Bromo-2,6-difluorophenol | 4-bromo-2,6-difluoro-phenol | 2.6-difluoro-4-bromophenol | 2,6-difluoro-4-bromophenol | 2,6-difluoro-4-bromo-phenol | GPRPSJPFAAGLCA-UHFFFAOYSA-N | J-507468 | AM20020134 | AS-17680 | FT-0617742 | M

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

504761300

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504761300

Kanonisches Lächeln

C1=C(C=C(C(=C1F)O)F)Br

IUPAC Name

4-bromo-2,6-difluorophenol

InChIKey

GPRPSJPFAAGLCA-UHFFFAOYSA-N

INCHI

1S/C6H3BrF2O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H

Isomere SMILES

C1=C(C=C(C(=C1F)O)F)Br

Molekulargewicht

208.99

Beilstein

8543473

Reaxy-Rn

8543473

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8543473&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenols
      • Subclass Halophenols
        • Ebene5 Bromophenols
          • Ebene6 P-bromophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Phenols
• Subclass: Halophenols
• Intermediate Tree Nodes: Bromophenols
• Direct Parent: P-bromophenols
• Alternative Parents: O-fluorophenols Fluorobenzenes Bromobenzenes Aryl fluorides Aryl bromides Organooxygen compounds Organofluorides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 4-bromophenol - 2-fluorophenol - Bromobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organofluoride - Organohalogen compound - Organobromide - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as p-bromophenols. These are bromophenols 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

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 50°C
• Molekulargewicht: 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: 110.000
• 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