Benzo[h]quinoline - ≥98%(GC) , CAS No.230-27-3

CAS: 230-27-3 Cat. No.: B152687 Summenformel: C₁₃H₉N Molekulargewicht: 179.22 Beilstein Registry Number: 120249 EG-Nummer: 205-937-0

GRADE & PURITY ≥98%(GC)

Synonyms

CCRIS 801 | AKOS000265061 | FT-0621332 | InChI=1/C13H9N/c1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12/h1-9 | 4-Azaphenanthrene | SCHEMBL15106 | 7,8-BENZO(H)QUINOLINE | 5-20-08-00215 (Beilstein Handbook Reference) | 1-Naphthoquinoline | 7,8-Benoz(h)quinoline |

Storage

Room temperature

Shipped In

Normal

Übersicht

Benzo[h]quinoline was used to study the mutagenic activities of benzo[f]quinoline, benzo[h]quinolone and a number of their derivatives in strain TA 100 of Salmonella typhimurium. It was used in determination of nitrogen-containing polynuclear aromatic hydrocarbons in the gaseous products of the thermal degradation of polymers by HPLC- fluorescence detection. It was used as starting reagent for the synthesis of osmium and ruthenium complexes containing an N-heterocyclic carbene ligand.

Specifications

Synonyme

CCRIS 801 | AKOS000265061 | FT-0621332 | InChI=1/C13H9N/c1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12/h1-9 | 4-Azaphenanthrene | SCHEMBL15106 | 7,8-BENZO(H)QUINOLINE | 5-20-08-00215 (Beilstein Handbook Reference) | 1-Naphthoquinoline | 7,8-Benoz(h)quinoline |

Spezifikationen & Reinheit

≥98%(GC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%(GC)

Namen und Kennungen

Pubchem Sid

488180938

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180938

Kanonisches Lächeln

C1=CC=C2C(=C1)C=CC3=C2N=CC=C3

IUPAC Name

benzo[h]quinoline

InChIKey

WZJYKHNJTSNBHV-UHFFFAOYSA-N

INCHI

1S/C13H9N/c1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12/h1-9H

Isomere SMILES

C1=CC=C2C(=C1)C=CC3=C2N=CC=C3

WGK Deutschland

3

RTECS

DK1432000

Molekulargewicht

179.22

Beilstein

120249

Reaxy-Rn

120249

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=120249&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Quinolines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinolines and derivatives
• Alternative Parents: Naphthalenes Pyridines and derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline - Naphthalene - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Beschreibung: 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: 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solubility in Methanol（almost transparency）
• Flammpunkt (°F): 235.4 °F
• Flammpunkt (°C): >110℃
• Siedepunkt (°C): 233°/47mm
• Schmelzpunkt (°C): 50-52°C
• Molekulargewicht: 179.220 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 179.073 Da
• Monoisotopic Mass: 179.073 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 201.000
• 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 room temperature.

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 230-27-3, the molecular formula is C13H9N, and the molecular weight is 179.22 g/mol. InChIKey WZJYKHNJTSNBHV-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.