2-Phenylthiophene

HCID 69999CAS 56842-14-9

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Grundinformationen

Standard-SMILES: c1ccc(-c2cccs2)cc1
InChIKey: PJRGDKFLFAYRBV-UHFFFAOYSA-N
Summenformel: C10H8S
Durchschnittliche Molmasse: 160,24 g/mol
Monoisotopische Masse: 160,03467126

Namen und Bezeichner

Bevorzugter Name: 2-Phenylthiophene
IUPAC: 2-phenylthiophene
Englischer Name: 2-PHENYLTHIOPHENE
Summenformel: C10H8S
Molmasse: 160.24

Namen und Synonyme

2-Phenylthiophene825-55-8DTXSID00876227RefChem:1064178DTXCID801014335871-873-0Thiophene, 2-phenyl-2-phenyl-thiopheneMFCD001300802-phenylthiofuran2- phenylthiophene2-Phenylthiophene, 95%

Weitere Namen anzeigen

5-PHENYLTHIOPHENE2-Phenylthiophene>Thiophene, 2-phenyl-2-Phenylthiophene,96%2-Phenylthiophene 95%2-Phenylthiophene in isooctane2-PHENYLTHIOPHENE ISO 9001：2015 REACH

PJRGDKFLFAYRBV-UHFFFAOYSA-CS-M2658EN300-1780456842-14-9Thiophene, phenyl-Thiophene, 2-phenyl2-phenyithiopheneFT-0613350

Datenbank-Bezeichner

CAS: 56842-14-9、825-55-8
PubChem CID: 69999
DTXSID: DTXSID00876227
EC Number: 871-873-0
Nikkaji: J112.969D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,7
Polarare Oberfläche (TPSA): 28,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 116

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Thiophenes

Physikochemische Eigenschaften

Schmelzpunkt: 34 · 34-36 °C(lit.)
Siedepunkt: 256 °C · 256 °C(lit.)
Dichte: 1.0645 · 1.0645 (rough estimate)
Brechungsindex: 1.65 · 1.6500 (estimate)
Flammpunkt: 109 °C · 109 °C
storage temp.: 2 · 2-8°C
Aggregatzustand: Crystalline Low Melting Mass
Farbe: White to light beige
InChI: InChI=1S/C10H8S/c1-2-5-9(6-3-1)10-7-4-8-11-10/h1-8H
InChIKey: PJRGDKFLFAYRBV-UHFFFAOYSA-N
SMILES: C1(C2=CC=CC=C2)SC=CC=1
CAS Datenbank: 825 · 825-55-8(CAS DataBase Reference)
EPA chemische Informationen: 2 · Thiophene, 2-phenyl- (825-55-8)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.