Triphenylethylene - CAS 58-72-0

Catalog:	BB030139
Product Name:	Triphenylethylene
CAS:	58-72-0
Synonyms:	1,2-diphenylethenylbenzene

Technical Data

Safety and Hazards

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Computed Properties

IUPAC Name:	1,2-diphenylethenylbenzene
Description:	Triphenylethylene (CAS# 58-72-0) is a useful research chemical.
Molecular Weight:	256.34
Molecular Formula:	C20H16
Canonical SMILES:	C1=CC=C(C=C1)C=C(C2=CC=CC=C2)C3=CC=CC=C3
InChI:	InChI=1S/C20H16/c1-4-10-17(11-5-1)16-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16H
InChI Key:	MKYQPGPNVYRMHI-UHFFFAOYSA-N
Boiling Point:	219-221 °C / 14 mmHg
Melting Point:	68-71 °C
Purity:	95 %
Density:	1.072 g/cm³
Appearance:	White powder.
Storage:	Store in a cool, dry place. Keep container closed when not in use.
MDL:	MFCD00004765
LogP:	5.27550

Publication Number	Title	Priority Date
CN-113429336-A	Organic electroluminescent material, light-emitting device and application	20210722
CN-113248444-A	Fluorosulfonyl radical reagent and preparation method and application thereof	20210531
CN-113307753-A	Preparation method of thioether derivative	20210524
CN-112898260-A	3-carbonyl-2H-benzopyran compound or pharmaceutically acceptable salt thereof, preparation method and application	20210121
CN-112552897-A	Triaryl ethylene photochromic material, method and application as 3D printing ink	20201206

PMID	Publication Date	Title	Journal
33049310	20210401	Evaluation of a multiplexed, multispecies nuclear receptor assay for chemical hazard assessment	Toxicology in vitro : an international journal published in association with BIBRA
25349334	20150201	Human sex hormone-binding globulin binding affinities of 125 structurally diverse chemicals and comparison with their binding to androgen receptor, estrogen receptor, and α-fetoprotein	Toxicological sciences : an official journal of the Society of Toxicology
22996795	20121029	Synthesis of end-functionalized polyacetylenes that contain polar groups by employing well-defined palladium catalysts	Chemistry (Weinheim an der Bergstrasse, Germany)
22493142	20120601	Ormeloxifene inhibits osteoclast differentiation in parallel to downregulating RANKL-induced ROS generation and suppressing the activation of ERK and JNK in murine RAW264.7 cells	Journal of molecular endocrinology
22356442	20120401	Pharmacokinetic evaluation of toremifene and its clinical implications for the treatment of osteoporosis	Expert opinion on drug metabolism & toxicology

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P273, P280, P301+P312, P305+P351+P338, P330, P337+P313, P391, and P501
Signal Word:	Warning

Complexity:	276
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	256.125200510
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	256.125200510
Rotatable Bond Count:	3
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	6.1