3-Methylbenzophenone - ≥95% , CAS No.643-65-2

CAS: 643-65-2 Cat. No.: M158277 Formule: C₁₄H₁₂O Poids moléculaire: 196.25 Beilstein Registry Number: 7(4)1403 Numéro CE: 211-401-7

QUALITÉ & PURETÉ ≥95%

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

Shipped In

Normal

Spécifications

Synonymes

(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

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥95%

Noms et identifiants

Pubchem Sid

488184339

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184339

Sourires canoniques

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

Isomères SMILES

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

Poids moléculaire

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
    • Classe Benzene and substituted derivatives
      • Subclass Benzophenones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Indice de réfraction: 1.597
• Point d'ébullition (°C): 316°C(lit.)
• Poids moléculaire: 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

Foire aux questions

How should this product be stored?

Store at room temperature.

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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 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.