1,1-Diphenylethylene - CAS 530-48-3

Name: 1,1-Diphenylethylene
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB028023
Product Name:	1,1-Diphenylethylene
CAS:	530-48-3
Synonyms:	Benzene, 1,1'-ethenylidenebis-; 1,1'-Ethenylidenebis[benzene]; Ethylene, 1,1-diphenyl-; 1,1-Diphenylethene; Ethene-1,1-diyldibenzene; NSC 57645; unsym-Diphenylethylene; α,α-Diphenylethylene; α-Methylenediphenylmethane; α-Phenylstyrene

Technical Data

IUPAC Name:	1-phenylethenylbenzene
Description:	1,1-Diphenylethylene (CAS# 530-48-3) is used in the synthesis of polyethylene glycol supported bixoxazolines as ligands fr enantioselective synthesis. Also used in the preparation of ABC heteroarm star terpolymers.
Molecular Weight:	180.25
Molecular Formula:	C14H12
Canonical SMILES:	C=C(C1=CC=CC=C1)C2=CC=CC=C2
InChI:	InChI=1S/C14H12/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H2
InChI Key:	ZMYIIHDQURVDRB-UHFFFAOYSA-N
Boiling Point:	270-271°C
Melting Point:	8.2°C
Purity:	95%
Density:	1.0243 g/cm3
Solubility:	Miscible with Methanol, Chloroform, Ether; Insoluble in Water
Appearance:	Colorless to yellow liquid
Storage:	Store at 2-8°C
MDL:	MFCD00008583
LogP:	3.74810

GHS Hazard Statement:	H317 (50%): May cause an allergic skin reaction [Warning Sensitization, Skin]; H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement:	P261, P272, P273, P280, P302+P352, P321, P333+P313, P362+P364, P391, and P501
Signal Word:	Warning

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PMID	Publication Date	Title	Journal
23010626	20121201	Monomer- and polymer radicals of vinyl compounds: EPR and DFT studies of geometric and electronic structures in the adsorbed state	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
22159608	20120701	Novel magnetic microspheres of P (GMA-b-HEMA): preparation, lipase immobilization and enzymatic activity in two phases	Applied microbiology and biotechnology
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22299869	20120128	Mid-infrared spectroscopy of molecular ions in helium nanodroplets	The Journal of chemical physics

Complexity:	160
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	180.093900383
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	180.093900383
Rotatable Bond Count:	2
Topological Polar Surface Area:	0
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.6