4-(Thiophen-2-yl)benzaldehyde

AKOS BAR-0194 · AKOS BAR-0193 · TIMTEC-BB SBB005905 · SALOR-INT L300144-1EA · 4-(2-THIENYL)BENZALDEYDE · 4-(2-THIENYL)BENZALDEHYDE · 4-(Thien-2-yl)benzaldehyde · 2-(4-Formylphenyl)thiophene

https://huagongshe.com/de/chemical/736499

Molekülstruktur von 4-(Thiophen-2-yl)benzaldehyde

Identifikatoren & physikalische Daten

CAS No.	107834-03-7
Summenformel	C11H8OS
Durchschnittliche Molmasse	188,25 g/mol
Monoisotopische Masse	188,02958588 g/mol
SMILES	O=Cc1ccc(-c2cccs2)cc1
InChIKey	UECDQUOWFRTJOH-UHFFFAOYSA-N
PubChem CID	736499
ChEMBL	CHEMBL1922272
EC No.	623-767-9
DTXSID	DTXSID40353042

Chemische & physikalische Eigenschaften

XLogP	3,2
Polarare Oberfläche (TPSA)	45,3
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	2
Schwere Atome	13
Formalladung	0
Komplexität	173
Schmelzpunkt	65-69 °C (lit.)
Siedepunkt	324.9±25.0 °C(Predicted)
Dichte	1+-.0.06 g/cm3(Predicted)
Aggregatzustand	solid
InChI	1S/C11H8OS/c12-8-9-3-5-10(6-4-9)11-2-1-7-13-11/h1-8H
InChIKey	UECDQUOWFRTJOH-UHFFFAOYSA-N
SMILES	O=Cc1ccc(cc1)-c2cccs2
CAS Datenbank	107834-03-7(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (100%)
Wassergefährdungsklasse (WGK)	3
Zollcode	2934999090
R-Sätze (R)	22
Gefahrensymbole	Xi,Xn
hazard_note	Irritant
Lagerklasse	11 - Combustible Solids
Gefahrenklasse	Acute Tox. 4 Oral

Anwendungen & Verwendung

Verwenden

4-(Thiophen-2-yl)benzaldehyde is a useful component in the synthesis of stimulus-responsive luminescent organic materials via reactive an inkjet printing system.