4,4'-Dimetilbenzofenona - ≥99% , CAS No.611-97-2

CAS: 611-97-2 Cat. No.: D111071 Peso molecular: 210.27 Beilstein Registry Number: 1240527 Número EC: 210-287-6

GRADE & PURITY ≥99%

Synonyms

D0685 | SMR000348920 | 4,4'-dimethyl benzophenone | Enamine_005826 | SR-01000389196-2 | STK290972 | HMS2720G23 | Di(4-methylphenyl) ketone | MLS001005683 | BIS(4-TOLYL)METHANONE | STR09191 | SY036131 | AE-641/00008061 | NSC 37137 | A833089 | SR-0100038919

Storage

Room temperature

Shipped In

Normal

Descripción general

descripción del producto:

la 4,4′-Dimetilbenzofenona reacciona con el bis(triclorotitanio fenóxido), un ácido de Lewis bidentado, para formar un complejo cristalino.

Aplicación del producto：

la 4,4'-dimetilbenzofenona se utiliza como agente catalítico y aditivo petroquímico. También se utiliza como productos intermedios farmacéuticos.

Specifications

Sinónimos

D0685 | SMR000348920 | 4, 4'-dimethyl benzophenone | Enamine_005826 | SR-01000389196-2 | STK290972 | HMS2720G23 | Di(4-methylphenyl) ketone | MLS001005683 | BIS(4-TOLYL)METHANONE | STR09191 | SY036131 | AE-641/00008061 | NSC 37137 | A833089 | SR-0100038919

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 504754342
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754342
• Sonrisas canónicas: CC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C
• IUPAC Name: bis(4-methylphenyl)methanone
• InChIKey: ZWPWLKXZYNXATK-UHFFFAOYSA-N
• INCHI: 1S/C15H14O/c1-11-3-7-13(8-4-11)15(16)14-9-5-12(2)6-10-14/h3-10H,1-2H3
• Isómeros SMILES: CC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C
• WGK Alemania: 3
• Peso molecular: 210.27
• Beilstein: 1240527
• Reaxy-Rn: 1240527
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1240527&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

Objetivos asociados (humanos)

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

Discover Target: GLP1R

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

Discover Target: KDM4A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

LMNA Tbio Prelamin-A/C (36751 Activities)

Discover Target: LMNA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Luciferin 4-monooxygenase (66902 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Insoluble in water.
• Punto de ebullición (°C): 200 °C/17 mmHg
• Punto de fusión (°C): 95°C
• Peso molecular: 210.270 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 210.104 Da
• Monoisotopic Mass: 210.104 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 206.000
• 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

Referencias

1. Zhixiang Lu, Yanxiong Liu, Xiaolan Liu, Shuhan Lu, Yuan Li, Shaoxiong Yang, Yu Qin, Liyan Zheng, Hongbin Zhang.  (2019)  A hollow microshuttle-shaped capsule covalent organic framework for protein adsorption.  Journal of Materials Chemistry B,  7  (9): (1469-1474).  [PMID:32255018] [10.1039/C8TB02870B]

2. Zhixiang Lu, Yunming Liu, Shuhan Lu, Yuan Li, Xiaolan Liu, Yu Qin, Liyan Zheng.  (2018)  A highly selective TPE-based AIE fluorescent probe is developed for the detection of Ag+.  RSC Advances,  8  (35): (19701-19706).  [PMID:35541010] [10.1039/C8RA03591A]

3. Chen Licong, Shi Rui, Han Yunfei, Wang Limei, Li Xingyun, Wang Zhongzhi.  (2026)  Eu(III) Complexes Coated WD-53 Modified Spherical SiO2 Core-shell Composite Material for Fluorescence Detection of 1-HP and Fe3+.  JOURNAL OF FLUORESCENCE,      [PMID:] [10.1007/s10895-026-04752-1]