1,1-Diphenylethylen

1,1-Diphenylethylene

HCID 10740CAS 530-48-3

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Grundinformationen

Standard-SMILES: C=C(c1ccccc1)c1ccccc1
InChIKey: ZMYIIHDQURVDRB-UHFFFAOYSA-N
Summenformel: C14H12
Durchschnittliche Molmasse: 180,24 g/mol
Monoisotopische Masse: 180,09390038

Überblick

structure

Namen und Bezeichner

Bevorzugter Name: 1,1-Diphenylethylene
IUPAC: 1-phenylethenylbenzene
Lokaler Name: 1,1-Diphenylethylen
Englischer Name: 1,1-Diphenylethylene
Summenformel: C14H12
Molmasse: 180.25

Namen und Synonyme

1,1-DIPHENYLETHYLENE530-48-31,1-DiphenyletheneBenzene, 1,1'-ethenylidenebis-alpha-PhenylstyreneBX0L5B6LLLalpha,alpha-Diphenylethylenealpha-Methylene-diphenylmethaneNSC-57645DTXSID5060190RefChem:71127DTXCID7041336

Weitere Namen anzeigen

DiphenylethyleneDDNU1-BROMO-4-(DIETHOXYMETHYL)BENZENEDKSI0101,1-distyreneα,α-diphenylethylene

208-482-6ethene-1,1-diyldibenzene(1-phenylethenyl)benzene1-phenylethenylbenzeneunsym-DiphenylethyleneEthylene, 1,1-diphenyl-as-DiphenylethyleneMFCD00008583

Datenbank-Bezeichner

CAS: 530-48-3
PubChem CID: 10740
DTXSID: DTXSID5060190
UNII: BX0L5B6LLL
EC Number: 208-482-6
Nikkaji: J6.702D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,6
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 2
Schwere Atome: 14
Formalladung: 0
Komplexität: 160

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Aromatic Hydrocarbons

SpringerMaterials PropertiesBoiling point

Physical DescriptionLiquid; mp = 8.2 deg C; [Merck Index] Yellow liquid; [MSDSonline]

Physikochemische Eigenschaften

Schmelzpunkt: 6 °C · 6 °C (lit.)
Siedepunkt: 270 · 270-271 °C (lit.)
Dichte: 1.021 g/mL · 1.021 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.608(lit.)
Flammpunkt: 221 °F · 221 °F
storage temp.: 2 · 2-8°C
Aggregatzustand: Liquid
Farbe: Clear colorless to golden
Wasserlöslichkeit: Miscible with methanol, chloroform and ether. Insoluble in water.
Merck: 14 · 14,3323
BRN: 1099062 · 1099062
InChI: 1S/C14H12/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H2
InChIKey: ZMYIIHDQURVDRB-UHFFFAOYSA-N
SMILES: C=C(c1ccccc1)c2ccccc2
CAS Datenbank: 530 · 530-48-3(CAS DataBase Reference)
NIST chemische Informationen: 1 · Ethylene, 1,1-diphenyl-(530-48-3)
EPA chemische Informationen: 1 · Benzene, 1,1'-ethenylidenebis- (530-48-3)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 0.9% (1 of 116) of reports.

Danger

H304 (89.7%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]

P261, P272, P273, P280, P301+P316, P302+P352, P321, P331, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 116 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: Benzene, 1,1'-ethenylidenebis-

Status: Active Update: 28-06-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/13775

Benzene, 1,1'-ethenylidenebis-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryMay cause irritation; Toxicity not fully known; [MSDSonline]

Hazard Classes and CategoriesAsp. Tox. 1 (89.7%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN 3082 9 / PGIII
hs_code: 29029090
safety_code: 23-24/25
hazard_class: 9
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Aquatic Chronic 2

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzene, 1,1'-ethenylidenebis-: ACTIVE

Anwendungen · 1 Eintrag

Verwenden1,1-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.