3-metilchinolina - ≥98% , CAS No.612-58-8

CAS: 612-58-8 Cat. No.: M103608 Formula: C₁₀H₉N Peso molecolare: 143.19 Beilstein Registry Number: 20(3/4)3472 Numero EC: 210-315-7

GRADE & PURITY ≥98%

Synonyms

DTXSID60210108 | NSC109149 | NSC-109149 | A833130 | BRN 0110325 | Quinoline, 3-methyl- (7CI,8CI,9CI) | 3-METHYLQUINOLINE | 3-methyl-quinoline | METHYLQUINOLINE, 3- | InChI=1/C10H9N/c1-8-6-9-4-2-3-5-10(9)11-7-8/h2-7H,1H | EN300-79890 | 3-methyl quinoline |

Storage

Argon charged,Room temperature

Shipped In

Normale

Panoramica

descrizione del prodotto：la 3-metilchinolina è un derivato della chinolina
la 3-metilchinolina è un derivato della chinolina. È ampiamente utilizzato per la sintesi di coloranti, coloranti alimentari, reagenti farmaceutici, indicatori di pH e in vari processi industriali. È stata sintetizzata dalla metilazione della chinolina con metanolo in presenza di varie zeoliti in un reattore a letto fisso

applicazione: la 3-metilchinolina

la 3-metilchinolina può essere utilizzata come integratore di carbonio, azoto ed energia per studiarne la degradazione da parte di Comamonas testosteroni 63. Può essere utilizzata come ligando nella preparazione del tetra-μ-benzoato-bis[(3-metilchinolina)rame(II)], un complesso dinucleare di tipo paddle-wheel.

Specifications

Sinonimi

DTXSID60210108 | NSC109149 | NSC-109149 | A833130 | BRN 0110325 | Quinoline, 3-methyl- (7CI,8CI,9CI) | 3-METHYLQUINOLINE | 3-methyl-quinoline | METHYLQUINOLINE, 3- | InChI=1/C10H9N/c1-8-6-9-4-2-3-5-10(9)11-7-8/h2-7H,1H | EN300-79890 | 3-methyl quinoline |

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Argon charged,Room temperature

Spedito in

Normale

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 488181482
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181482
• Sorrisi canonici: CC1=CC2=CC=CC=C2N=C1
• IUPAC Name: 3-methylquinoline
• InChIKey: DTBDAFLSBDGPEA-UHFFFAOYSA-N
• INCHI: 1S/C10H9N/c1-8-6-9-4-2-3-5-10(9)11-7-8/h2-7H,1H3
• Isomeri SMILES: CC1=CC2=CC=CC=C2N=C1
• WGK Germania: 3
• RTECS: VC0527000
• Peso molecolare: 143.19
• Beilstein: 20(3/4)3472
• Reaxy-Rn: 110325
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=110325&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Quinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Quinolines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinolines and derivatives
• Alternative Parents: Methylpyridines Benzenoids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline - Methylpyridine - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as quinolines and derivatives. These are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene.
• External Descriptors: a small molecule

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

Obiettivi associati (umani)

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

CYP2A6 Tchem Cytochrome P450 2A6 (2861 Activities)

Discover Target: CYP2A6

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

Obiettivi associati (non umani)

Cyp2a5 Cytochrome P450 2A5 (126 Activities)

Discover Target: Cyp2a5

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: Light & air sensitive
• Punto di congelamento (°C): 15 °C
• Indice di rifrazione: 1.615
• Punto di infiammabilità (°F): 235.4 °F
• Punto di infiammabilità (°C): >110°C
• Punto di ebollizione (°C): 252-253°C
• Punto di fusione (°C): 16-17°C
• Peso molecolare: 143.180 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 143.073 Da
• Monoisotopic Mass: 143.073 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 133.000
• 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

Domande frequenti

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 612-58-8, the molecular formula is C10H9N, and the molecular weight is 143.19 g/mol. InChIKey DTBDAFLSBDGPEA-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.