Grundinformationen
- CAS
58-72-0- Standard-SMILES
C(=C(c1ccccc1)c1ccccc1)c1ccccc1- InChIKey
MKYQPGPNVYRMHI-UHFFFAOYSA-N- Summenformel
- C20H16
- Durchschnittliche Molmasse
- 256,3 g/mol
- Monoisotopische Masse
- 256,12520051
Überblick
Triphenylethylene is a stilbenoid.
Namen und Bezeichner
- Bevorzugter Name
- Triphenylethylene
- IUPAC
- 1,2-diphenylethenylbenzene
- Lokaler Name
- Triphenylethylen
- Englischer Name
- Triphenylethylene
- Summenformel
- C20H16
- Molmasse
- 256.34
Namen und Synonyme
TRIPHENYLETHYLENE58-72-0TriphenyletheneEthylene, triphenyl-1,1,2-TriphenylethyleneBenzilidenediphenylmethaneDTXSID30223201,2-diphenylvinylbenzeneS4ZLZ1K74BBenzene, 1,1',1''-(1-ethenyl-2-ylidene)tris-DTXCID402320NSC-17535
Weitere Namen anzeigen
AURORA KA-6581α-phenylstilbenetriphenyl-ethylenALPHA-PHENYLSTILBENE
NSC17535RefChem:191905200-395-1Ethene-1,1,2-triyltribenzene1,2-diphenylethenylbenzene1,2,2-Triphenylethylene(1,2-Diphenylvinyl)benzene(1,2-diphenylethenyl)benzene
Datenbank-Bezeichner
- CAS
58-72-0- PubChem CID
- 6025
- DTXSID
DTXSID3022320- ChEMBL
CHEMBL3115201- ChEBI
CHEBI:35034- UNII
- S4ZLZ1K74B
- EC Number
- 200-395-1
- Nikkaji
- J1.389G、J3.252.092H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 6,1
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 20
- Formalladung
- 0
- Komplexität
- 276
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Aromatic Hydrocarbons
SpringerMaterials PropertiesBoiling point
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionWhite crystalline solid; [Sigma-Aldrich MSDS]
Collision Cross Section153.5 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID3022320]
Physikochemische Eigenschaften
- Schmelzpunkt
- 69 · 69-71 °C (lit.)
- Siedepunkt
- 219 · 219-221°C 14mm
- Dichte
- 1.0373 · 1.0373
- Brechungsindex
- 1.6292 · 1.6292
- Flammpunkt
- 219 · 219-221°C/14mm
- storage temp.
- 30 °C · Store below +30°C.
- Aggregatzustand
- powder
- Farbe
- White
- BRN
- 1867462 · 1867462
- 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
- InChIKey
- MKYQPGPNVYRMHI-UHFFFAOYSA-N
- SMILES
- C(/C1=CC=CC=C1)=C(\C1=CC=CC=C1)/C1=CC=CC=C1
- CAS Datenbank
- 58 · 58-72-0(CAS DataBase Reference)
- NIST chemische Informationen
- 1 · Benzene, 1,1',1''-(1-ethenyl-2-ylidene)tris-(58-72-0)
- EPA chemische Informationen
- Triphenylethylene (58-72-0)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Benzene, 1,1',1''-(1-ethenyl-2-ylidene)tris-
Benzene, 1,1',1''-(1-ethenyl-2-ylidene)tris-: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
A skin and strong eye irritant; Harmful by ingestion; May cause allergic reactions in sensitive individuals, based on QSAR modeling; Reproductive effects observed in experimental animals; [Sigma-Aldrich MSDS] See Triphenylmethane. See 1,1-Diphenylethylene and 1,2-Diphenylethylene.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3077 9 / PGIII
- hs_code
- 29029080
- RTECS-Nr.
- KX4920000
- risk_code
- 22-36-50/53
- hazard_code
- Xn,N,Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37-60-61
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological ClassificationCompounds which inhibit or antagonize the action or biosynthesis of estrogenic compounds.
Verwendung und Herstellung
General Manufacturing InformationBenzene, 1,1',1''-(1-ethenyl-2-ylidene)tris-: ACTIVE
Anwendungen
VerwendenTriphenylethylene is used in preparation of Esterase activated aggregation-induced luminescent anticancer prodrug.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Ergänzende Hinweise
DefinitionChEBI: Triphenylethylene is a stilbenoid. It is the core chemical structure of a number of related anti-estrogen compounds. The triphenylethylene antiestrogens, which include idoxifene, toremifene, chlorotrianisene, raloxifene and tamoxifen, act at the level of the estrogen receptor, triggering inhibition or stimulation of estrogen-dependent gene transcription and cellular physiology.
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