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

CAS: 530-48-3 Cat. No.: D155632 Molecular Weight: 180.25 Beilstein Registry Number: 1099060 EC Number: 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

Overview

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

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

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504751995
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751995
• Canonical Smiles: 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
• Isomeric SMILES: C=C(C1=CC=CC=C1)C2=CC=CC=C2
• WGK Germany: 3
• UN Number: 3082
• Packing Group: III
• Molecular Weight: 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
    • Class Benzene and substituted derivatives
      • Subclass Diphenylmethanes

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

Chemical and Physical Properties

• Solubility: Miscible with methanol, chloroform and ether. Insoluble in water.
• Sensitivity: Heat Sensitive
• Refractive Index: 1.61
• Flash Point(°F): 235.4 °F
• Flash Point(°C): 113 °C
• Boil Point(°C): 277 °C
• Melt Point(°C): 9 °C
• Molecular Weight: 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

References

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]