3-Bromo-4-fluorophenol - ≥98% , CAS No.27407-11-0

CAS: 27407-11-0 Cat. No.: B137152 Fórmula: C₆H₄BrFO Peso molecular: 191 Número CE: 807-954-4

GRADE & PURITY ≥98%

Synonyms

3-Bromo-4-Fluorophenol | 3-bromo-4-fluoro-phenol | Phenol, 3-bromo-4-fluoro- | SY002949 | AC-3757 | FT-0601361 | PS-8370 | CL8474 | AKOS006230023 | BCP26659 | SCHEMBL189322 | A1620 | A819049 | DTXSID70382623 | EN300-118525 | 3-bromanyl-4-fluoranyl-phenol

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

3-Bromo-4-Fluorophenol | 3-bromo-4-fluoro-phenol | Phenol, 3-bromo-4-fluoro- | SY002949 | AC-3757 | FT-0601361 | PS-8370 | CL8474 | AKOS006230023 | BCP26659 | SCHEMBL189322 | A1620 | A819049 | DTXSID70382623 | EN300-118525 | 3-bromanyl-4-fluoranyl-phenol

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature,Argon charged

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

504762129

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504762129

Sorrisos canónicos

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

IUPAC Name

3-bromo-4-fluorophenol

InChIKey

QWTULQLVGNZMLF-UHFFFAOYSA-N

INCHI

1S/C6H4BrFO/c7-5-3-4(9)1-2-6(5)8/h1-3,9H

SMILES isoméricas

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

Peso molecular

191

Reaxy-Rn

2042872

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2042872&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: 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 - 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 - Organohalogen compound - Organobromide - Aromatic homomonocyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: Soluble in Methanol
• Sensibilidade: Hygroscopic
• Ponto de ebulição (°C): 78°C/0.5mmHg
• Peso molecular: 191.000 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 189.943 Da
• Monoisotopic Mass: 189.943 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 99.100
• 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

Perguntas frequentes

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 27407-11-0, the molecular formula is C6H4BrFO, and the molecular weight is 191 g/mol. InChIKey QWTULQLVGNZMLF-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.