4-Bromo-2-chloro-3-fluorophenol - ≥95% , CAS No.1233026-52-2

CAS: 1233026-52-2 Cat. No.: B190227 Summenformel: C₆H₃BrClFO Molekulargewicht: 225.44

GRADE & PURITY ≥95%

Synonyms

Phenol, 4-bromo-2-chloro-3-fluoro- | SY035424 | 2-CHLORO-3-FLUORO-4-BROMOPHENOL | DS-13255 | DTXSID60680701 | MFCD11849932 | 1233026-52-2 | 4-Bromo-2-chloro-3-fluorophenol | 4-Bromo-2-chloro-3-fluoro-phenol | AKOS016000202

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

Phenol, 4-bromo-2-chloro-3-fluoro- | SY035424 | 2-CHLORO-3-FLUORO-4-BROMOPHENOL | DS-13255 | DTXSID60680701 | MFCD11849932 | 1233026-52-2 | 4-Bromo-2-chloro-3-fluorophenol | 4-Bromo-2-chloro-3-fluoro-phenol | AKOS016000202

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

Kanonisches Lächeln

C1=CC(=C(C(=C1O)Cl)F)Br

IUPAC Name

4-bromo-2-chloro-3-fluorophenol

InChIKey

PVZYEBPYESHRRX-UHFFFAOYSA-N

INCHI

1S/C6H3BrClFO/c7-3-1-2-4(10)5(8)6(3)9/h1-2,10H

Isomere SMILES

C1=CC(=C(C(=C1O)Cl)F)Br

Molekulargewicht

225.44

Reaxy-Rn

39279225

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=39279225&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-chlorophenols M-fluorophenols Fluorobenzenes Chlorobenzenes Bromobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl fluorides Aryl chlorides Aryl bromides Organooxygen compounds Organofluorides Organochlorides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 4-bromophenol - 3-fluorophenol - 2-chlorophenol - 1-hydroxy-2-unsubstituted benzenoid - Bromobenzene - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organofluoride - Organochloride - Organobromide - Organohalogen compound - 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

• Molekulargewicht: 225.440 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 223.904 Da
• Monoisotopic Mass: 223.904 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 124.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥95% 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 1233026-52-2, the molecular formula is C6H3BrClFO, and the molecular weight is 225.44 g/mol. InChIKey PVZYEBPYESHRRX-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.