3-Methylbenzophenone - ≥99% , CAS No.643-65-2

CAS: 643-65-2 Cat. No.: M474885 分子式: C₁₄H₁₂O 分子量: 196.25 Beilstein Registry Number: 7(4)1403 EC番号: 211-401-7

グレード＆純度 ≥99%

Synonyms

(3-Methylphenyl)phenylmethanone | (3-methylphenyl)-phenylmethanone | EINECS 211-401-7 | Q27266051 | AKOS009158699 | 3-Methylbenzophenone, 99% | DTXSID40214528 | FT-0616128 | W-104847 | AC-13761 | Phenyl 3-tolyl ketone | 3-Methylbenzophenone | 3-Methyl-ben

Storage

Room temperature

仕様

同義語

(3-Methylphenyl)phenylmethanone | (3-methylphenyl)-phenylmethanone | EINECS 211-401-7 | Q27266051 | AKOS009158699 | 3-Methylbenzophenone, 99% | DTXSID40214528 | FT-0616128 | W-104847 | AC-13761 | Phenyl 3-tolyl ketone | 3-Methylbenzophenone | 3-Methyl-ben

仕様と純度

≥99%

保管条件

Room temperature

純度

≥99%

名前と識別子

パブケム・シド

504754402

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504754402

カノニカル・スマイル

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

IUPAC Name

(3-methylphenyl)-phenylmethanone

InChIKey

URBLVRAVOIVZFJ-UHFFFAOYSA-N

INCHI

1S/C14H12O/c1-11-6-5-9-13(10-11)14(15)12-7-3-2-4-8-12/h2-10H,1H3

異性体SMILES

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

分子量

196.25

Beilstein

7(4)1403

Reaxy-Rn

2045488

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2045488&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 屈折率: 1.597
• 沸点（°C）: 316°C(lit.)
• 分子量: 196.240 g/mol
• XLogP3: 3.500
• 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

よくある質問

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 643-65-2, the molecular formula is C14H12O, and the molecular weight is 196.25 g/mol. InChIKey URBLVRAVOIVZFJ-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.