7-Bromchinolin - ≥98%(GC)(T) , CAS No.4965-36-0

CAS: 4965-36-0 Cat. No.: B152697 Summenformel: C₉H₆BrN Molekulargewicht: 208.06 EG-Nummer: 689-306-9

GRADE & PURITY ≥98%(GC)(T)

Synonyms

AB15717 | 7-Bromoquinoline, AldrichCPR | InChI=1/C9H6BrN/c10-8-4-3-7-2-1-5-11-9(7)6-8/h1-6 | BL002815 | J-519177 | SMR000162690 | HY-W004432 | AC-1472 | BCP08383 | Quinoline, 7-bromo- | SCHEMBL440439 | BBL102656 | AM20080861 | AKOS005256285 | B4155 | EN30

Storage

Lagerung bei 2-8°C

Shipped In

Nasses Eis

Specifications

Synonyme

AB15717 | 7-Bromoquinoline, AldrichCPR | InChI=1/C9H6BrN/c10-8-4-3-7-2-1-5-11-9(7)6-8/h1-6 | BL002815 | J-519177 | SMR000162690 | HY-W004432 | AC-1472 | BCP08383 | Quinoline, 7-bromo- | SCHEMBL440439 | BBL102656 | AM20080861 | AKOS005256285 | B4155 | EN30

Spezifikationen & Reinheit

≥98%(GC)(T)

Storage

Lagerung bei 2-8°C

Verschickt in

Nasses Eis

Reinheit

≥98%(GC)(T)

Namen und Kennungen

• Pubchem Sid: 504759094
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759094
• Kanonisches Lächeln: C1=CC2=C(C=C(C=C2)Br)N=C1
• IUPAC Name: 7-bromoquinoline
• InChIKey: XYBSZCUHOLWQQU-UHFFFAOYSA-N
• INCHI: 1S/C9H6BrN/c10-8-4-3-7-2-1-5-11-9(7)6-8/h1-6H
• Isomere SMILES: C1=CC2=C(C=C(C=C2)Br)N=C1
• Molekulargewicht: 208.06
• Reaxy-Rn: 112906
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=112906&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Quinolines and derivatives
      • Subclass Haloquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Quinolines and derivatives
• Subclass: Haloquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Haloquinolines
• Alternative Parents: Pyridines and derivatives Benzenoids Aryl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Haloquinoline - Benzenoid - Pyridine - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as haloquinolines. These are compounds containing a quinoline moiety, which is substituted at one or more ring positions by n halogen atom.
• 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

Zugehörige Ziele (menschlich)

CYP2C19 Tchem Cytochrome P450 2C19 (1 Activities)

Discover Target: CYP2C19

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

Discover Target: CYP2D6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

Discover Target: CYP2C9

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

Discover Target: CYP2C19

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HTT Tchem Huntingtin (19182 Activities)

Discover Target: HTT

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Zugehörige Ziele (nicht menschlich)

GCN5 Histone acetyltransferase GCN5 (89 Activities)

Discover Target: GCN5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Toluene
• Empfindlichkeit: Air Sensitive,Heat Sensitive
• Schmelzpunkt (°C): 33°C-37°C
• Molekulargewicht: 208.050 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 206.968 Da
• Monoisotopic Mass: 206.968 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 138.000
• 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 ≥98% 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 4965-36-0, the molecular formula is C9H6BrN, and the molecular weight is 208.06 g/mol. InChIKey XYBSZCUHOLWQQU-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.