6-Bromopyren-1-ol - ≥95% , CAS No.114562-65-1

CAS: 114562-65-1 Cat. No.: B993165 Summenformel: C₁₆H₉BrO Molekulargewicht: 297.15 PubChem CID: 50999158

GRADE & PURITY ≥95%

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Spezifikationen & Reinheit

≥95%

Storage

Store at 2-8°C,Protected from light,Argon charged

Verschickt in

Wet ice

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

Reinheit

≥95%

Namen und Kennungen

• Kanonisches Lächeln: C1=CC2=C(C=CC3=C2C4=C1C=CC(=C4C=C3)Br)O
• IUPAC Name: 6-bromopyren-1-ol
• InChIKey: XFLCKLCWZVOBOX-UHFFFAOYSA-N
• INCHI: 1S/C16H9BrO/c17-13-7-3-9-2-6-12-14(18)8-4-10-1-5-11(13)15(9)16(10)12/h1-8,18H
• Isomere SMILES: C1=CC2=C(C=CC3=C2C4=C1C=CC(=C4C=C3)Br)O
• PubChem CID: 50999158
• Molekulargewicht: 297.15

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Pyrenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Pyrenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrenes
• Alternative Parents: Phenanthrols Naphthols and derivatives 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Organooxygen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Pyrene - Phenanthrol - Phenanthrene - 2-naphthol - 1-naphthol - Naphthalene - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aryl bromide - Aryl halide - Organic oxygen compound - Organooxygen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Aromatic homopolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as pyrenes. These are compounds containing a pyrene moiety, which consists four fused benzene rings, resulting in a flat aromatic system.
• 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

• Empfindlichkeit: light sensitive
• Molekulargewicht: 297.140 g/mol
• XLogP3: 5.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 295.984 Da
• Monoisotopic Mass: 295.984 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 331.000
• 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 ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 114562-65-1, the molecular formula is C16H9BrO, and the molecular weight is 297.15 g/mol. InChIKey XFLCKLCWZVOBOX-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.