1,1-Diphenylethylene (stabilized with HQ) - ≥97% , CAS No.530-48-3

CAS: 530-48-3 Cat. No.: D155632 Peso molecular: 180.25 Beilstein Registry Number: 1099060 Número EC: 208-482-6

GRADE & PURITY ≥97%

Synonyms

.alpha.-Methylene-diphenylmethane | D0886 | 1,1-Diphenylethene | 1,1-diphenyl-ethene | EC 208-482-6 | AMY3456 | (1-Phenylvinyl)benzene | 1'-ETHENYLIDENEBIS(BENZENE) | FT-0606150 | DTXSID5060190 | NSC-57645 | Benzene,1'-ethenylidenebis- | .alpha.,.alpha.-D

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

Product Application:

1,1-Diphenylethylene is used in the preparation of 2-chloro-1,1-diphenyl-ethene by reacting with benzeneseleninyl chloride and aluminum(III) chloride as reagents. It acts as an intermediate in organic synthesis as well as in pharmaceuticals.

Specifications

Sinónimos

.alpha.-Methylene-diphenylmethane | D0886 | 1, 1-Diphenylethene | 1, 1-diphenyl-ethene | EC 208-482-6 | AMY3456 | (1-Phenylvinyl)benzene | 1'-ETHENYLIDENEBIS(BENZENE) | FT-0606150 | DTXSID5060190 | NSC-57645 | Benzene, 1'-ethenylidenebis- | .alpha., .alpha.-D

Especificaciones y pureza

≥97%

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

≥97%

Nombres e identificadores

• Pubchem Sid: 504751995
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751995
• Sonrisas canónicas: C=C(C1=CC=CC=C1)C2=CC=CC=C2
• IUPAC Name: 1-phenylethenylbenzene
• InChIKey: ZMYIIHDQURVDRB-UHFFFAOYSA-N
• INCHI: 1S/C14H12/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H2
• Isómeros SMILES: C=C(C1=CC=CC=C1)C2=CC=CC=C2
• WGK Alemania: 3
• Número ONU: 3082
• Grupo de embalaje: III
• Peso molecular: 180.25
• Beilstein: 1099060
• Reaxy-Rn: 1099062
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1099062&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Styrenes Aromatic hydrocarbons Branched unsaturated hydrocarbons Cyclic olefins
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Styrene - Aromatic hydrocarbon - Branched unsaturated hydrocarbon - Cyclic olefin - Unsaturated hydrocarbon - Olefin - Hydrocarbon - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by 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

Propiedades químicas y físicas

• Solubilidad: Miscible with methanol, chloroform and ether. Insoluble in water.
• Sensibilidad: Heat Sensitive
• Índice de refracción: 1.61
• Punto de inflamación (°F): 235.4 °F
• Punto de inflamación (°C): 113 °C
• Punto de ebullición (°C): 277 °C
• Punto de fusión (°C): 9 °C
• Peso molecular: 180.240 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 180.094 Da
• Monoisotopic Mass: 180.094 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 160.000
• 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. Qi Ming-Yu, Tan Chang-Long, Tang Zi-Rong, Conte Marco, Sun Yugang, Xu Yi-Jun.  (2026)  Efficient methanol upcycling to ethylene glycol and glycolaldehyde via divergent C−C coupling synthesis.  Nature Communications,      [PMID:41698933] [10.1038/s41467-026-69656-x]