Solvent Yellow 44 - ≥97% , CAS No.2478-20-8

CAS: 2478-20-8 Cat. No.: S1066535 Formula: C₂₀H₁₆N₂O₂ Peso molecolare: 316.4 Numero EC: 219-607-9 PubChem CID: 75589

GRADE & PURITY ≥97%

Storage

Room temperature

Specifications

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥97%

Nomi e identificatori

• Sorrisi canonici: CC1=CC(=C(C=C1)N2C(=O)C3=C4C(=C(C=C3)N)C=CC=C4C2=O)C
• IUPAC Name: 6-amino-2-(2,4-dimethylphenyl)benzo[de]isoquinoline-1,3-dione
• InChIKey: FQLZTPSAVDHUKS-UHFFFAOYSA-N
• INCHI: 1S/C20H16N2O2/c1-11-6-9-17(12(2)10-11)22-19(23)14-5-3-4-13-16(21)8-7-15(18(13)14)20(22)24/h3-10H,21H2,1-2H3
• Isomeri SMILES: CC1=CC(=C(C=C1)N2C(=O)C3=C4C(=C(C=C3)N)C=CC=C4C2=O)C
• CAS alternativo: 2478-20-8,144246-02-6
• PubChem CID: 75589
• Termini MeSH: FD and C Yellow 11;Nacelan Brilliant Yellow 6 GF;Plastic Yellow FGP(No. 56200)
• Peso molecolare: 316.4

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Isoquinolines and derivatives
• Subclass: Isoquinolones and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoquinolones and derivatives
• Alternative Parents: Naphthalenes m-Xylenes Pyridinones Heteroaromatic compounds Lactams Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Isoquinolone - Naphthalene - Xylene - M-xylene - Pyridinone - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Lactam - Azacycle - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as isoquinolones and derivatives. These are aromatic polycyclic compounds containing a ketone bearing isoquinoline moiety.
• 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: 316.400 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 316.121 Da
• Monoisotopic Mass: 316.121 Da
• Topological Polar Surface Area: 63.400 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 534.000
• 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 ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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

The CAS Number is 2478-20-8, the molecular formula is C20H16N2O2, and the molecular weight is 316.4 g/mol. InChIKey FQLZTPSAVDHUKS-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.