4-Chromanone - ≥97% , CAS No.491-37-2

CAS: 491-37-2 Cat. No.: C115094 Fórmula: C₉H₈O₂ Peso molecular: 148.16 Beilstein Registry Number: 124652 Número EC: 207-736-3

GRADE & PURITY ≥97%

Synonyms

Isochromanone | NSC 174058 | NSC174058 | NSC-174058 | 4-chromanon | SY003783 | AB00814 | Z85920466 | 4H-1-Benzopyran-4-one, 2,3-dihydro- | AB-131/40347218 | MFCD00006840 | 4-Chromanone | BS-3822 | F0001-1283 | J-200067 | AC-3079 | EINECS 207-736-3 | EN300

Storage

Room temperature

Shipped In

Normal

Descripción general

4-Chromanone has been used to study the substrate specificity and catalytic ability of 4-hydroxyacetophenone monooxygenase isolated from Pseudomonas fluorescens ACB.

Specifications

Sinónimos

Isochromanone | NSC 174058 | NSC174058 | NSC-174058 | 4-chromanon | SY003783 | AB00814 | Z85920466 | 4H-1-Benzopyran-4-one, 2,3-dihydro- | AB-131/40347218 | MFCD00006840 | 4-Chromanone | BS-3822 | F0001-1283 | J-200067 | AC-3079 | EINECS 207-736-3 | EN300

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504754252
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754252
• Sonrisas canónicas: C1COC2=CC=CC=C2C1=O
• IUPAC Name: 2,3-dihydrochromen-4-one
• InChIKey: MSTDXOZUKAQDRL-UHFFFAOYSA-N
• INCHI: 1S/C9H8O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-4H,5-6H2
• Isómeros SMILES: C1COC2=CC=CC=C2C1=O
• WGK Alemania: 2
• RTECS: DJ2981225
• Peso molecular: 148.16
• Beilstein: 124652
• Reaxy-Rn: 124652
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=124652&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzopyrans
      • Subclass 1-benzopyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Not available
• Direct Parent: Chromones
• Alternative Parents: Aryl alkyl ketones Alkyl aryl ethers Benzenoids Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Chromone - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Benzenoid - Ketone - Oxacycle - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as chromones. These are compounds containing a benzopyran-4-one 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

Objetivos asociados (humanos)

HL-60 (67320 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NALM-6 (592 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Dermatophagoides pteronyssinus (58 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Punto de congelación (°C): 34 °C
• Índice de refracción: 1.575
• Punto de inflamación (°F): >230 °F
• Punto de inflamación (°C): 110 °C
• Punto de ebullición (°C): 127-128°C
• Punto de fusión (°C): 35-38°C
• Peso molecular: 148.160 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 148.052 Da
• Monoisotopic Mass: 148.052 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 165.000
• 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

Preguntas frecuentes

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.

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 491-37-2, the molecular formula is C9H8O2, and the molecular weight is 148.16 g/mol. InChIKey MSTDXOZUKAQDRL-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.