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

CAS: 611-97-2 Cat. No.: D111071 Summenformel: C₁₅H₁₄O Molekulargewicht: 210.27 Beilstein Registry Number: 1240527 EG-Nummer: 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

Übersicht

product describtion:

4,4′-Dimethylbenzophenone reacts with bis(trichlorotitanium phenoxide), a bidentate Lewis acid, to form a crystalline complex.

Product Application：

4,4'-Dimethylbenzophenone is used as catalytic agent and petrochemical additive. It is also used as pharmaceutical intermediates.

Specifications

Synonyme

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

Spezifikationen & Reinheit

≥99%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥99%

Namen und Kennungen

• Pubchem Sid: 504754342
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754342
• Kanonisches Lächeln: 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
• Isomere SMILES: CC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C
• WGK Deutschland: 3
• Molekulargewicht: 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
    • 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 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
• 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

Zugehörige Ziele (menschlich)

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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

Discover Target: GLP1R

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

Discover Target: KDM4A

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

Discover Target: EHMT2

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LMNA Tbio Prelamin-A/C (36751 Activities)

Discover Target: LMNA

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

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Plasmodium falciparum (966862 Activities)

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Luciferin 4-monooxygenase (66902 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Insoluble in water.
• Siedepunkt (°C): 200 °C/17 mmHg
• Schmelzpunkt (°C): 95°C
• Molekulargewicht: 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

Referenzen

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]