2-Bromo-3-fluorophenol - ≥95% , CAS No.443-81-2

CAS: 443-81-2 Cat. No.: B184569 Fórmula: C₆H₄BrFO Peso molecular: 191 Número EC: 675-092-4

GRADE & PURITY ≥95%

Synonyms

SCHEMBL324444 | STL555049 | AB3149 | Phenol, 2-bromo-3-fluoro- | EN300-121461 | B5224 | 2-Bromo-1-(2-cyclohexylethoxy)-3-fluorobenzene | J-508222 | A1695 | 2-Bromo-3-fluorophenol | LMFRSLRJXLATRL-UHFFFAOYSA-N | GS-3322 | SY008190 | A1-44303 | AC-995 | MB0

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

SCHEMBL324444 | STL555049 | AB3149 | Phenol, 2-bromo-3-fluoro- | EN300-121461 | B5224 | 2-Bromo-1-(2-cyclohexylethoxy)-3-fluorobenzene | J-508222 | A1695 | 2-Bromo-3-fluorophenol | LMFRSLRJXLATRL-UHFFFAOYSA-N | GS-3322 | SY008190 | A1-44303 | AC-995 | MB0

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488197910
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197910
• Sonrisas canónicas: C1=CC(=C(C(=C1)F)Br)O
• IUPAC Name: 2-bromo-3-fluorophenol
• InChIKey: LMFRSLRJXLATRL-UHFFFAOYSA-N
• INCHI: 1S/C6H4BrFO/c7-6-4(8)2-1-3-5(6)9/h1-3,9H
• Isómeros SMILES: C1=CC(=C(C(=C1)F)Br)O
• Peso molecular: 191
• Reaxy-Rn: 3237401
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3237401&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenols
      • Subclass Halophenols
        • Level5 Bromophenols
          • Level6 O-bromophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenols
• Subclass: Halophenols
• Intermediate Tree Nodes: Bromophenols
• Direct Parent: O-bromophenols
• Alternative Parents: M-fluorophenols 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-fluorophenol - 2-bromophenol - 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 o-bromophenols. These are bromophenols carrying a iodine at the C2 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

• Índice de refracción: 1.56
• Punto de inflamación (°C): 72 °C
• Punto de ebullición (°C): 123 °C/80 mmHg
• 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 ≥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 443-81-2, the molecular formula is C6H4BrFO, and the molecular weight is 191 g/mol. InChIKey LMFRSLRJXLATRL-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.