2-Bromo-4,5-difluorophenol - ≥98% , CAS No.166281-37-4

CAS: 166281-37-4 Cat. No.: B124267 Formula: C₆H₃BrF₂O Molecular Weight: 208.99 Beilstein Registry Number: 8355005 EC Number: 605-435-5

GRADE & PURITY ≥98%

Synonyms

2-Bromo-4,5-difluorophenol, 99% | EN300-224945 | InChI=1/C6H3BrF2O/c7-3-1-4(8)5(9)2-6(3)10/h1-2,10 | SCHEMBL1266166 | CL8461 | J-010267 | AM20060199 | AS-17268 | DTXSID30371250 | BBL102626 | MFCD00070751 | 2-Bromo-4,5-difluorophenol | 2-bromo-4,5-difluoro

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

2-Bromo-4,5-difluorophenol, 99% | EN300-224945 | InChI=1/C6H3BrF2O/c7-3-1-4(8)5(9)2-6(3)10/h1-2,10 | SCHEMBL1266166 | CL8461 | J-010267 | AM20060199 | AS-17268 | DTXSID30371250 | BBL102626 | MFCD00070751 | 2-Bromo-4,5-difluorophenol | 2-bromo-4,5-difluoro

Specifications & Purity

≥98%

Storage

Room temperature,Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

Pubchem Sid

488192791

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488192791

Canonical Smiles

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

IUPAC Name

2-bromo-4,5-difluorophenol

InChIKey

FCYZOOHWUOEAOX-UHFFFAOYSA-N

INCHI

1S/C6H3BrF2O/c7-3-1-4(8)5(9)2-6(3)10/h1-2,10H

Isomeric SMILES

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

WGK Germany

3

Molecular Weight

208.99

Beilstein

8355005

Reaxy-Rn

8255005

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8255005&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenols
      • Subclass Halophenols
        • Level5 Fluorophenols
          • Level6 P-fluorophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenols
• Subclass: Halophenols
• Intermediate Tree Nodes: Fluorophenols
• Direct Parent: P-fluorophenols
• Alternative Parents: O-bromophenols M-fluorophenols 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-fluorophenol - 2-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 - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• Description: 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

Chemical and Physical Properties

• Sensitivity: Air sensitive
• x_refractive_index: 1.5300 - 1.5340
• x_flash_point_drop_fahrenheit: 177.8 °F
• x_flash_point_drop_centigrade: 81°C(
• Molecular Weight: 208.990 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 207.934 Da
• Monoisotopic Mass: 207.934 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 122.000
• 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

Frequently Asked Questions

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 166281-37-4, the molecular formula is C6H3BrF2O, and the molecular weight is 208.99 g/mol. InChIKey FCYZOOHWUOEAOX-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.