4-Bromo-3,5-difluorophenol - ≥99% , CAS No.130191-91-2

CAS: 130191-91-2 Cat. No.: B132114 Summenformel: C₆H₃BrF₂O Molekulargewicht: 208.99 EG-Nummer: 642-656-6

GRADE & PURITY ≥99%

Synonyms

J-514704 | BBL103498 | AS-10343 | FT-0645223 | MFCD08062385 | SCHEMBL1575301 | AM61290 | J-005758 | 4-Bromo-3,5-difluorophenol, 98% | HHGOLZGZHXELSW-UHFFFAOYSA-N | 4-Bromo-3,5-difluorophenol | 4-bromo-3,5-difluoro-phenol | EN300-175257 | SY002889 | STL557

Storage

Store at 2-8°C

Shipped In

Wet ice

Übersicht

4-Bromo-3,5-difluorophenol is used as intermediates of Liquid Crystals. Reactant in the synthesis of difluoroethyleneoxy group liquid crystal.

Specifications

Synonyme

J-514704 | BBL103498 | AS-10343 | FT-0645223 | MFCD08062385 | SCHEMBL1575301 | AM61290 | J-005758 | 4-Bromo-3,5-difluorophenol, 98% | HHGOLZGZHXELSW-UHFFFAOYSA-N | 4-Bromo-3,5-difluorophenol | 4-bromo-3,5-difluoro-phenol | EN300-175257 | SY002889 | STL557

Spezifikationen & Reinheit

≥99%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥99%

Namen und Kennungen

Pubchem Sid

504764728

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504764728

Kanonisches Lächeln

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

IUPAC Name

4-bromo-3,5-difluorophenol

InChIKey

HHGOLZGZHXELSW-UHFFFAOYSA-N

INCHI

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

Isomere SMILES

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

Molekulargewicht

208.99

Reaxy-Rn

10063047

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10063047&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenols
      • Subclass Halophenols
        • Ebene5 Bromophenols
          • Ebene6 P-bromophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Phenols
• Subclass: Halophenols
• Intermediate Tree Nodes: Bromophenols
• Direct Parent: P-bromophenols
• Alternative Parents: 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-bromophenol - 3-fluorophenol - 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
• Beschreibung: This compound belongs to the class of organic compounds known as p-bromophenols. These are bromophenols 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Sparingly Soluble (8.2E-5 g/L) (25°C).
• Empfindlichkeit: Moisture sensitive.
• Schmelzpunkt (°C): 72-78°C
• Molekulargewicht: 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: 110.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥99% 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 130191-91-2, the molecular formula is C6H3BrF2O, and the molecular weight is 208.99 g/mol. InChIKey HHGOLZGZHXELSW-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.