2-(4-Chlorphenyl)-2-oxoethylthiocyanat

4-Chlorophenacyl thiocyanate · 4-Chlorophenacyl thiocyanate,98% · 4-CHLOROBENZOYLMETHYL THIOCYANATE · β-Oxo-4-chlorophenethyl thiocyanate · 1-(4-CHLOROPHENYL)-2-THIOCYANATOETHANONE · 2-(4-CHLOROPHENYL)-2-OXOETHYL THIOCYANATE · 1-(4-Chlorophenyl)-2-thiocyanatoethan-1-one · 1-(4-chlorophenyl)-2-(cyanosulfanyl)ethan-1-one

https://huagongshe.com/de/chemical/88013

Molekülstruktur von 2-(4-Chlorphenyl)-2-oxoethylthiocyanat

Identifikatoren & physikalische Daten

CAS No.	19339-59-4
Summenformel	C9H6ClNOS
Durchschnittliche Molmasse	211,67 g/mol
Monoisotopische Masse	210,98586249 g/mol
SMILES	N#CSCC(=O)c1ccc(Cl)cc1
InChIKey	JSIQRJQKMVTGJN-UHFFFAOYSA-N
PubChem CID	88013
EC No.	242-972-0
DTXSID	DTXSID80172936
Lokaler Name	2-(4-Chlorphenyl)-2-oxoethylthiocyanat

Chemische & physikalische Eigenschaften

XLogP	3
Polarare Oberfläche (TPSA)	66,2
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	3
Schwere Atome	13
Formalladung	0
Komplexität	227
Schmelzpunkt	133-137 °C
Siedepunkt	381.3±22.0 °C(Predicted)
Dichte	1.350±0.06 g/cm3(Predicted)
Lagerbedingungen	2-8°C
CAS Datenbank	19339-59-4(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (100%)
Zollcode	2930909899
R-Sätze (R)	36/37/38-20/21/22
Gefahrensymbole	Xn,Xi
Sicherheitshinweise (S)	36/37/39-26
Gefahrenklasse	IRRITANT