3-Bromo-5-fluorophenol - ≥98% , CAS No.433939-27-6

CAS: 433939-27-6 Cat. No.: B120799 Fórmula: C₆H₄BrFO Peso molecular: 191 Número EC: 627-426-5

GRADE & PURITY ≥98%

Synonyms

3-Bromo-5-fluorophenol, 97% | EN300-109408 | 3-Bromo-5-fluorophenol | 3-bromo-5-fluoro-phenol | J-512017 | SCHEMBL393819 | B3063 | 3-Fluoro-5-Bromophenol | 5-Bromo-3-fluorophenol | AC-3758 | AKOS005254559 | JCPJGUPQZDEZQH-UHFFFAOYSA-N | A1691 | MFCD077837

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

3-Bromo-5-fluorophenol, 97% | EN300-109408 | 3-Bromo-5-fluorophenol | 3-bromo-5-fluoro-phenol | J-512017 | SCHEMBL393819 | B3063 | 3-Fluoro-5-Bromophenol | 5-Bromo-3-fluorophenol | AC-3758 | AKOS005254559 | JCPJGUPQZDEZQH-UHFFFAOYSA-N | A1691 | MFCD077837

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

504769080

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504769080

Sonrisas canónicas

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

IUPAC Name

3-bromo-5-fluorophenol

InChIKey

JCPJGUPQZDEZQH-UHFFFAOYSA-N

INCHI

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

Isómeros SMILES

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

WGK Alemania

3

Peso molecular

191

Reaxy-Rn

11254715

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11254715&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenols
• Subclass: Halophenols
• Intermediate Tree Nodes: Fluorophenols
• Direct Parent: M-fluorophenols
• Alternative Parents: M-bromophenols Fluorobenzenes Bromobenzenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Aryl fluorides Aryl bromides Organooxygen compounds Organofluorides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 3-bromophenol - 3-fluorophenol - 1-hydroxy-4-unsubstituted benzenoid - 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 m-fluorophenols. These are fluorophenols carrying a iodine at the C3 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

• Punto de inflamación (°F): >230 °F
• Punto de inflamación (°C): >110°(230°F)
• Punto de fusión (°C): 36-40°C
• 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

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 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 433939-27-6, the molecular formula is C6H4BrFO, and the molecular weight is 191 g/mol. InChIKey JCPJGUPQZDEZQH-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.