7-Nitroisoquinoline - ≥95% , CAS No.13058-73-6

CAS: 13058-73-6 Cat. No.: N181078 Formula: C₉H₆N₂O₂ Peso molecolare: 174.2

GRADE & PURITY ≥95%

Synonyms

SCHEMBL1828850 | DS-14010 | SY021175 | FT-0720336 | AKOS006330513 | AM807233 | A26454 | MFCD09264588 | AC-9599 | Isoquinoline, 7-nitro- | 7-nitroisoquinoline | 7-Nitro-isoquinoline | EN300-108431 | DTXSID10480874 | NYHHIPIPUVLUFF-UHFFFAOYSA-N

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

SCHEMBL1828850 | DS-14010 | SY021175 | FT-0720336 | AKOS006330513 | AM807233 | A26454 | MFCD09264588 | AC-9599 | Isoquinoline, 7-nitro- | 7-nitroisoquinoline | 7-Nitro-isoquinoline | EN300-108431 | DTXSID10480874 | NYHHIPIPUVLUFF-UHFFFAOYSA-N

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥95%

Nomi e identificatori

• Sorrisi canonici: C1=CC(=CC2=C1C=CN=C2)[N+](=O)[O-]
• IUPAC Name: 7-nitroisoquinoline
• InChIKey: NYHHIPIPUVLUFF-UHFFFAOYSA-N
• INCHI: 1S/C9H6N2O2/c12-11(13)9-2-1-7-3-4-10-6-8(7)5-9/h1-6H
• Isomeri SMILES: C1=CC(=CC2=C1C=CN=C2)[N+](=O)[O-]
• Peso molecolare: 174.2
• Reaxy-Rn: 136187
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=136187&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Isoquinolines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoquinolines and derivatives
• Alternative Parents: Nitroaromatic compounds Pyridines and derivatives Benzenoids Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Isoquinoline - 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 - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organic salt - Organonitrogen compound - Organic cation - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 174.160 g/mol
• XLogP3: 2.100
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). 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 13058-73-6, the molecular formula is C9H6N2O2, and the molecular weight is 174.2 g/mol. InChIKey NYHHIPIPUVLUFF-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.