2-Phenylacetophenone - ≥98% , CAS No.451-40-1

CAS: 451-40-1 Cat. No.: P108570 Fórmula: C₁₄H₁₂O Peso molecular: 196.24 Beilstein Registry Number: 1072876 Número EC: 207-193-2

GRADE & PURITY ≥98%

Synonyms

Q27277503 | SR-01000388911-1 | ?2-Phenylacetophenone | BzBn | deoxy benzoin | Deoxybenzoin | EU-0066752 | HMS1407N21 | B0435 | NSC6097 | NSC-6097 | SCHEMBL24800 | Benzyl phenyl ketone | STL264189 | EN300-17086 | F3297-0011 | 1,2 diphenyl-ethanone | CCG-10

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

Q27277503 | SR-01000388911-1 | ?2-Phenylacetophenone | BzBn | deoxy benzoin | Deoxybenzoin | EU-0066752 | HMS1407N21 | B0435 | NSC6097 | NSC-6097 | SCHEMBL24800 | Benzyl phenyl ketone | STL264189 | EN300-17086 | F3297-0011 | 1,2 diphenyl-ethanone | CCG-10

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504751889
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751889
• Sonrisas canónicas: C1=CC=C(C=C1)CC(=O)C2=CC=CC=C2
• IUPAC Name: 1,2-diphenylethanone
• InChIKey: OTKCEEWUXHVZQI-UHFFFAOYSA-N
• INCHI: 1S/C14H12O/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2
• Isómeros SMILES: C1=CC=C(C=C1)CC(=O)C2=CC=CC=C2
• WGK Alemania: 3
• RTECS: AM9662500
• Peso molecular: 196.24
• Beilstein: 1072876
• Reaxy-Rn: 1072876
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1072876&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Alkyl-phenylketones Benzoyl derivatives Aryl alkyl ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Stilbene - Alkyl-phenylketone - Phenylketone - Aryl alkyl ketone - Aryl ketone - Benzoyl - Benzenoid - Monocyclic benzene moiety - 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 stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
• 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

Propiedades químicas y físicas

• Solubilidad: Soluble in water (partly), methanol, alcohols, and ketones.
• Sensibilidad: Heat Sensitive.
• Punto de inflamación (°F): 235.4 °F
• Punto de inflamación (°C): >110℃
• Punto de ebullición (°C): 320°C
• Punto de fusión (°C): 52-57°C
• Peso molecular: 196.240 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• 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: 197.000
• 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. Yumiao Su, Wenmu Li.  (2023)  Sulfonated Poly(aryl sulfone)s Containing Ferrous and Ferric Ion Scavenger 1H-Imidazo[4,5-F][1,10]-phenanthroline Groups for Highly Durable Proton Exchange Membranes.  ACS Applied Polymer Materials,      [PMID:] [10.1021/acsapm.3c00841]

2. Nengchao Luo, Tingting Hou, Shiyang Liu, Bin Zeng, Jianmin Lu, Jian Zhang, Hongji Li, Feng Wang.  (2019)  Photocatalytic Coproduction of Deoxybenzoin and H2 through Tandem Redox Reactions.  ACS Catalysis,      [PMID:] [10.1021/acscatal.9b03651]

3. Guo-Chao Xu, Yue Wang, Ming-Hui Tang, Jie-Yu Zhou, Jing Zhao, Rui-Zhi Han, Ye Ni.  (2018)  Hydroclassified Combinatorial Saturation Mutagenesis: Reshaping Substrate Binding Pockets of KpADH for Enantioselective Reduction of Bulky–Bulky Ketones.  ACS Catalysis,      [PMID:] [10.1021/acscatal.8b02286]

4. Meifang Cao, Yuqiao Ma, Tao Ruan, Lifeng Li, Bo Chen, Xueqing Qiu, Di Fan, Xinping Ouyang.  (2024)  Highly efficient hydrogenolysis of lignin into monophenol over an atomically dispersed platinum catalyst.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.150020]

5. Zupeng Chen, Yongqi Zhuang, Yuguo Dong, Yanmei Zheng, Wenjun Zhang, Lin Dong.  (2025)  Engineering Oxygen Vacancies on Ceria via Vanadium Oxide Dispersion for Selective Photocatalytic Cleavage of Lignin C-C Bonds.  GREEN CHEMISTRY,      [PMID:] [10.1039/D5GC05517B]