2,4,5-Trimethylbenzophenone - ≥95%(GC) , CAS No.52890-52-5

CAS: 52890-52-5 Cat. No.: T162165 Summenformel: C₁₆H₁₆O Molekulargewicht: 224.3 PubChem CID: 14907151

GRADE & PURITY ≥95%(GC)

Synonyms

A870879 | 2.4.5-Trimethylbenzophenon | SCHEMBL6459498 | T2062 | MFCD08276423 | AC-27941 | DTXSID40565229 | LCZC3322 | AS-63593 | 2,4,5-Trimethylbenzophenone | phenyl-(2,4,5-trimethylphenyl)methanone | Phenyl-(2,4,5-trimethyl-phenyl)-methanone | Phenyl(2,4

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

A870879 | 2.4.5-Trimethylbenzophenon | SCHEMBL6459498 | T2062 | MFCD08276423 | AC-27941 | DTXSID40565229 | LCZC3322 | AS-63593 | 2,4,5-Trimethylbenzophenone | phenyl-(2,4,5-trimethylphenyl)methanone | Phenyl-(2,4,5-trimethyl-phenyl)-methanone | Phenyl(2,4

Spezifikationen & Reinheit

≥95%(GC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%(GC)

Namen und Kennungen

Pubchem Sid

488198757

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488198757

Kanonisches Lächeln

CC1=CC(=C(C=C1C)C(=O)C2=CC=CC=C2)C

IUPAC Name

phenyl-(2,4,5-trimethylphenyl)methanone

InChIKey

FTPZYWUJDVZEIE-UHFFFAOYSA-N

INCHI

1S/C16H16O/c1-11-9-13(3)15(10-12(11)2)16(17)14-7-5-4-6-8-14/h4-10H,1-3H3

Isomere SMILES

CC1=CC(=C(C=C1C)C(=O)C2=CC=CC=C2)C

PubChem CID

14907151

Molekulargewicht

224.3

Reaxy-Rn

2104310

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Diphenylmethanes Aryl-phenylketones Benzoyl derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Aryl-phenylketone - Diphenylmethane - Aryl ketone - Benzoyl - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.59
• Siedepunkt (°C): 328°C(lit.)
• Molekulargewicht: 224.300 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 224.12 Da
• Monoisotopic Mass: 224.12 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 265.000
• 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

Häufig gestellte Fragen

What is the purity of this product, and how is it determined?

This product is supplied at ≥95% 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 52890-52-5, the molecular formula is C16H16O, and the molecular weight is 224.3 g/mol. InChIKey FTPZYWUJDVZEIE-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.