2-Hydroxy-5-methylbenzophenone - ≥97% , CAS No.1470-57-1

CAS: 1470-57-1 Cat. No.: H157018 Fórmula: C₁₄H₁₂O₂ Peso molecular: 212.25 Beilstein Registry Number: 8(4)1289 Número EC: 216-002-1

GRADE & PURITY ≥97%

Synonyms

MFCD00002379 | 2-Benzoyl-4-methylphenol | 2-ethenyl-1,3,5-trimethylbenzene | 2-Hydroxy-5-methylbenzophenone, 99% | NCGC00248690-01 | NSC296 | NSC-296 | H1008 | NSC 296 | AS-66198 | Methanone, (2-hydroxy-5-methylphenyl)phenyl- | (2-hydroxy-5-methylphenyl)(

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

MFCD00002379 | 2-Benzoyl-4-methylphenol | 2-ethenyl-1,3,5-trimethylbenzene | 2-Hydroxy-5-methylbenzophenone, 99% | NCGC00248690-01 | NSC296 | NSC-296 | H1008 | NSC 296 | AS-66198 | Methanone, (2-hydroxy-5-methylphenyl)phenyl- | (2-hydroxy-5-methylphenyl)(

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

Pubchem Sid

504754745

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754745

Sonrisas canónicas

CC1=CC(=C(C=C1)O)C(=O)C2=CC=CC=C2

IUPAC Name

(2-hydroxy-5-methylphenyl)-phenylmethanone

InChIKey

OQERFUGURPLBQH-UHFFFAOYSA-N

INCHI

1S/C14H12O2/c1-10-7-8-13(15)12(9-10)14(16)11-5-3-2-4-6-11/h2-9,15H,1H3

Isómeros SMILES

CC1=CC(=C(C=C1)O)C(=O)C2=CC=CC=C2

WGK Alemania

3

Peso molecular

212.25

Beilstein

8(4)1289

Reaxy-Rn

2049315

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2049315&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzophenones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Diphenylmethanes Aryl-phenylketones Para cresols Benzoyl derivatives Toluenes 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Diphenylmethane - Aryl-phenylketone - Benzoyl - P-cresol - Aryl ketone - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Toluene - Vinylogous acid - Ketone - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 83-85 °C
• Peso molecular: 212.240 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 212.084 Da
• Monoisotopic Mass: 212.084 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 243.000
• 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 1470-57-1, the molecular formula is C14H12O2, and the molecular weight is 212.25 g/mol. InChIKey OQERFUGURPLBQH-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.