8-Nitroquinoline - ≥98% , CAS No.607-35-2

CAS: 607-35-2 Cat. No.: N122691 Formule: C₉H₆N₂O₂ Poids moléculaire: 174.16 Beilstein Registry Number: 135178 Numéro CE: 210-135-9

GRADE & PURITY ≥98%

Synonyms

8-NITROQUINOLINE [HSDB] | AS-17301 | BDBM50532274 | MFCD00006806 | I11489 | AB00443675-03 | AI3-08912 | DTXSID6020985 | AKOS000277126 | InChI=1/C9H6N2O2/c12-11(13)8-5-1-3-7-4-2-6-10-9(7)8/h1-6 | NSC 346 | Quinoline, 8-nitro- | SB67567 | Tox21_200683 | WLN

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

8-NITROQUINOLINE [HSDB] | AS-17301 | BDBM50532274 | MFCD00006806 | I11489 | AB00443675-03 | AI3-08912 | DTXSID6020985 | AKOS000277126 | InChI=1/C9H6N2O2/c12-11(13)8-5-1-3-7-4-2-6-10-9(7)8/h1-6 | NSC 346 | Quinoline, 8-nitro- | SB67567 | Tox21_200683 | WLN

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 488181443
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181443
• Sourires canoniques: C1=CC2=C(C(=C1)[N+](=O)[O-])N=CC=C2
• IUPAC Name: 8-nitroquinoline
• InChIKey: OQHHSGRZCKGLCY-UHFFFAOYSA-N
• INCHI: 1S/C9H6N2O2/c12-11(13)8-5-1-3-7-4-2-6-10-9(7)8/h1-6H
• Isomères SMILES: C1=CC2=C(C(=C1)[N+](=O)[O-])N=CC=C2
• WGK Allemagne: 3
• RTECS: VC1925000
• Poids moléculaire: 174.16
• Beilstein: 135178
• Reaxy-Rn: 135178
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=135178&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: Nitroaromatic compounds Pyridines and derivatives Benzenoids Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline - Nitroaromatic compound - Pyridine - Benzenoid - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: 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

Cibles associées (humaines)

HepG2 (196354 Activities)

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Cibles associées (non humaines)

Salmonella typhimurium (15756 Activities)

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Leishmania infantum (5912 Activities)

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Trypanosoma brucei brucei (13300 Activities)

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Leishmania donovani (89745 Activities)

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Rattus norvegicus (775804 Activities)

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J774.A1 (2436 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Point de fusion (°C): 89°C
• Poids moléculaire: 174.160 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 174.043 Da
• Monoisotopic Mass: 174.043 Da
• Topological Polar Surface Area: 58.700 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 202.000
• 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

Références

1. Shuchang Wu, Guodong Wen, Yang Su, Xiaoli Pan, Hua Yan, Jiangyong Diao, Hongyang Liu.  (2021)  Bottom-Up Approach Derived Iron and Nitrogen Cofunctionalized Carbon as Efficient Renewable Catalyst for Selective Reduction of Nitroarenes.  Journal of Physical Chemistry C,      [PMID:] [10.1021/acs.jpcc.1c00620]

Foire aux questions

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

How should this product be stored?

Store at room temperature.

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.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 607-35-2, the molecular formula is C9H6N2O2, and the molecular weight is 174.16 g/mol. InChIKey OQHHSGRZCKGLCY-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.