2-Methylbenzophenone - ≥98%(GC) , CAS No.131-58-8

CAS: 131-58-8 Cat. No.: M158276 Fórmula: C₁₄H₁₂O Peso molecular: 196.25 Beilstein Registry Number: 7(4)1407 Número EC: 205-032-0

GRADE & PURITY ≥98%(GC)

Synonyms

Methanone, (2-methylphenyl)phenyl- | 2-Phenyl carbonyl toluene | NCGC00326785-01 | phenyl-o-tolyl-methanone | SY018317 | (3R,4S,5R)-4-HYDROXY-5-[(1S)-1-HYDROXY-2-METHYLPROPYL]-3-METHYL-2-PYRROLIDINONE-5-CARBOXYLICACID | 2-methylphenyl phenyl ketone | BP-1

Storage

Room temperature

Shipped In

Normal

Descripción general

2-Methylbenzophenone, is used as an important raw material and intermediate in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.

Specifications

Sinónimos

Methanone, (2-methylphenyl)phenyl- | 2-Phenyl carbonyl toluene | NCGC00326785-01 | phenyl-o-tolyl-methanone | SY018317 | (3R,4S,5R)-4-HYDROXY-5-[(1S)-1-HYDROXY-2-METHYLPROPYL]-3-METHYL-2-PYRROLIDINONE-5-CARBOXYLICACID | 2-methylphenyl phenyl ketone | BP-1

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 504754134
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754134
• Sonrisas canónicas: CC1=CC=CC=C1C(=O)C2=CC=CC=C2
• IUPAC Name: (2-methylphenyl)-phenylmethanone
• InChIKey: CKGKXGQVRVAKEA-UHFFFAOYSA-N
• INCHI: 1S/C14H12O/c1-11-7-5-6-10-13(11)14(15)12-8-3-2-4-9-12/h2-10H,1H3
• Isómeros SMILES: CC1=CC=CC=C1C(=O)C2=CC=CC=C2
• Peso molecular: 196.25
• Beilstein: 7(4)1407
• Reaxy-Rn: 2045469
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2045469&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 Benzoyl derivatives Toluenes Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Aryl-phenylketone - Diphenylmethane - Aryl ketone - Benzoyl - Toluene - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen 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

Propiedades químicas y físicas

• Solubilidad: Insoluble in water.
• Índice de refracción: 1.6
• Punto de inflamación (°F): 230°F
• Punto de inflamación (°C): >110℃
• Punto de ebullición (°C): 168°C/12mmHg
• Punto de fusión (°C): -18 °C
• Peso molecular: 196.240 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 196.089 Da
• Monoisotopic Mass: 196.089 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 215.000
• 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, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). 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 131-58-8, the molecular formula is C14H12O, and the molecular weight is 196.25 g/mol. InChIKey CKGKXGQVRVAKEA-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.