Thiochroman-4-on

Thiochroman-4-one · 1-THIOCHROMAN-4-ONE · T**Thiochroman-4-one · Thiochroman-4-one,98% · ThiochroMan-4-one 97% · 2,3-dihydrothiochroMen-4-one · 2,3-Dihydro-4H-thiochromen-4-one · 2,3-DIHYDRO-4H-1-BENZOTHIOPYRAN-4-ONE

https://huagongshe.com/de/chemical/19048

Identifikatoren & physikalische Daten

CAS No.	3528-17-4
Summenformel	C9H8OS
Durchschnittliche Molmasse	164,23 g/mol
Monoisotopische Masse	164,02958588 g/mol
SMILES	O=C1CCSc2ccccc21
InChIKey	CVQSWZMJOGOPAV-UHFFFAOYSA-N
PubChem CID	19048
EC No.	222-548-1
DTXSID	DTXSID10188762
Lokaler Name	Thiochroman-4-on

Chemische & physikalische Eigenschaften

XLogP	1,9
Polarare Oberfläche (TPSA)	42,4
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	0
Schwere Atome	11
Formalladung	0
Komplexität	167
SpringerMaterials Properties	Chemical shift
Schmelzpunkt	28-30 °C (lit.)
Siedepunkt	154 °C/12 mmHg (lit.)
Dichte	1.2487
Brechungsindex	n20/D 1.6395(lit.)
Flammpunkt	>230 °F
Lagerbedingungen	Storage temp. 2-8°C
Aggregatzustand	Low Melting Solid
Farbe	Orange
InChI	1S/C9H8OS/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-4H,5-6H2
InChIKey	CVQSWZMJOGOPAV-UHFFFAOYSA-N
SMILES	O=C1CCSc2ccccc12

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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard Classes and Categories	Acute Tox. 4 (100%)
Wassergefährdungsklasse (WGK)	3
UN-Transportnummer	UN 3335
Zollcode	29309099
Sicherheitshinweise (S)	24/25
Lagerklasse	11 - Combustible Solids

Anwendungen & Verwendung

Verwenden

Thiochroman-4-one was used as the starting reactant for synthesis of series of pyrazoles and isoxazoles.