3-(4-Bromophenyl)pyridine - ≥96%(GC) , CAS No.129013-83-8

CAS: 129013-83-8 Cat. No.: B152396 Summenformel: C₁₁H₈BrN Molekulargewicht: 234.1 EG-Nummer: 807-991-6

GRADE & PURITY ≥96%(GC)

Synonyms

EN300-316959 | 3-(4-Bromo-phenyl)-pyridine | AM62646 | DTXSID50363915 | MFCD04116232 | 3-(4-bromophenyl)pyridine | Pyridine, 3-(4-bromophenyl)- | 4-(Pyridin-3-yl)bromobenzene | BCP22874 | A846193 | SY047650 | 4-(pyrid-3-yl)bromobenzene | FCHUOBPHXDXZBK-UH

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

EN300-316959 | 3-(4-Bromo-phenyl)-pyridine | AM62646 | DTXSID50363915 | MFCD04116232 | 3-(4-bromophenyl)pyridine | Pyridine, 3-(4-bromophenyl)- | 4-(Pyridin-3-yl)bromobenzene | BCP22874 | A846193 | SY047650 | 4-(pyrid-3-yl)bromobenzene | FCHUOBPHXDXZBK-UH

Spezifikationen & Reinheit

≥96%(GC)

Storage

Store at 2-8°C

Verschickt in

Wet ice

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

Reinheit

≥96%(GC)

Namen und Kennungen

• Pubchem Sid: 504760559
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760559
• Kanonisches Lächeln: C1=CC(=CN=C1)C2=CC=C(C=C2)Br
• IUPAC Name: 3-(4-bromophenyl)pyridine
• InChIKey: FCHUOBPHXDXZBK-UHFFFAOYSA-N
• INCHI: 1S/C11H8BrN/c12-11-5-3-9(4-6-11)10-2-1-7-13-8-10/h1-8H
• Isomere SMILES: C1=CC(=CN=C1)C2=CC=C(C=C2)Br
• Molekulargewicht: 234.1
• Reaxy-Rn: 1423730
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1423730&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Pyridines and derivatives
      • Subclass Phenylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyridines and derivatives
• Subclass: Phenylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyridines
• Alternative Parents: Bromobenzenes Aryl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 3-phenylpyridine - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azacycle - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
• 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

• Flammpunkt (°C): 155 °C
• Schmelzpunkt (°C): 40 °C
• Molekulargewicht: 234.090 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 232.984 Da
• Monoisotopic Mass: 232.984 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 152.000
• 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, and how is it determined?

This product is supplied at ≥96% purity, determined by gas chromatography (GC). 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 129013-83-8, the molecular formula is C11H8BrN, and the molecular weight is 234.1 g/mol. InChIKey FCHUOBPHXDXZBK-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.