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

CAS: 443-81-2 Cat. No.: B184569 Summenformel: C₆H₄BrFO Molekulargewicht: 191 EG-Nummer: 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

Synonyme

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

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

• Pubchem Sid: 488197910
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197910
• Kanonisches Lächeln: 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
• Isomere SMILES: C1=CC(=C(C(=C1)F)Br)O
• Molekulargewicht: 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
    • Klasse Phenols
      • Subclass Halophenols
        • Ebene5 Bromophenols
          • Ebene6 O-bromophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.56
• Flammpunkt (°C): 72 °C
• Siedepunkt (°C): 123 °C/80 mmHg
• Molekulargewicht: 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

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 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.