4-Azidocoumarin - ≥97%(HPLC) , CAS No.42373-56-8

CAS: 42373-56-8 Cat. No.: A151315 Formula: C₉H₅N₃O₂ Peso molecolare: 187.16 Numero EC: 808-057-0

GRADE & PURITY ≥97%(HPLC)

Synonyms

4-azidocoumarin|4-azidochromen-2-one|42373-56-8|NSC654620|4-azido-2H-chromen-2-one|YSZCJ029|CHEMBL1985867|SCHEMBL14417276|IUICMSYHSPWQPN-UHFFFAOYSA-N|NSC-654620|NCI60_018891|A2758|D88531|4-(2.Lambda.~5~-1,2-Triazadienyl)-2H-chromen-2-one

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

4-azidocoumarin | 4-azidochromen-2-one | 42373-56-8 | NSC654620 | 4-azido-2H-chromen-2-one | YSZCJ029 | CHEMBL1985867 | SCHEMBL14417276 | IUICMSYHSPWQPN-UHFFFAOYSA-N | NSC-654620 | NCI60_018891 | A2758 | D88531 | 4-(2.Lambda.~5~-1,2-Triazadienyl)-2H-chromen-2-one

Specifiche e purezza

≥97%(HPLC)

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

≥97%(HPLC)

Nomi e identificatori

Pubchem Sid

504758608

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504758608

Sorrisi canonici

C1=CC=C2C(=C1)C(=CC(=O)O2)N=[N+]=[N-]

IUPAC Name

4-azidochromen-2-one

InChIKey

IUICMSYHSPWQPN-UHFFFAOYSA-N

INCHI

1S/C9H5N3O2/c10-12-11-7-5-9(13)14-8-4-2-1-3-6(7)8/h1-5H

Isomeri SMILES

C1=CC=C2C(=C1)C(=CC(=O)O2)N=[N+]=[N-]

Peso molecolare

187.16

Reaxy-Rn

1642501

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1642501&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Coumarins and derivatives

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Coumarins and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Coumarins and derivatives
• Alternative Parents: 1-benzopyrans Pyranones and derivatives Benzenoids Heteroaromatic compounds Lactones Azo imides Azo compounds Oxacyclic compounds Organooxygen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Coumarin - Benzopyran - 1-benzopyran - Pyranone - Pyran - Benzenoid - Heteroaromatic compound - Azo compound - Azo imide - Lactone - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic salt - Organic cation - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
• 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

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: heat sensitive
• Punto di fusione (°C): 160℃
• Peso molecolare: 187.150 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 187.038 Da
• Monoisotopic Mass: 187.038 Da
• Topological Polar Surface Area: 40.700 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 331.000
• 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, and how is it determined?

This product is supplied at ≥97% purity, determined by HPLC. 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 42373-56-8, the molecular formula is C9H5N3O2, and the molecular weight is 187.16 g/mol. InChIKey IUICMSYHSPWQPN-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.