2-Bromo-6-methoxy-4-((E)-(2-(4-methylphenyl)-6-oxo(1,3)thiazolo(3,2-B)(1,2,4)triazol-5(6H)-ylidene)methyl)phenyl acetate

SALOR-INT L427136-1EA · (E)-2-bromo-6-methoxy-4-((6-oxo-2-(p-tolyl)thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene)methyl)phenyl acetate · Thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, 5-[[4-(acetyloxy)-3-bromo-5-methoxyphenyl]methylene]-2-(4-methylphenyl)- · 2-BROMO-6-METHOXY-4-[(E)-(2-(4-METHYLPHENYL)-6-OXO[1,3]THIAZOLO[3,2-B][1,2,4]TRIAZOL-5(6H)-YLIDENE)METHYL]PHENYL ACETATE

https://huagongshe.com/de/chemical/2139194

Molekülstruktur von 2-Bromo-6-methoxy-4-((E)-(2-(4-methylphenyl)-6-oxo(1,3)thiazolo(3,2-B)(1,2,4)triazol-5(6H)-ylidene)methyl)phenyl acetate

Identifikatoren & physikalische Daten

CAS No.	606953-11-1
Summenformel	C21H16BrN3O4S
Durchschnittliche Molmasse	486,3 g/mol
Monoisotopische Masse	485,00449 g/mol
SMILES	COc1cc(/C=c2/sc3nc(-c4ccc(C)cc4)nn3c2=O)cc(Br)c1OC(C)=O
InChIKey	WQRXMQWJTOWJDA-LICLKQGHSA-N
PubChem CID	2139194
EC No.	645-568-6

Chemische & physikalische Eigenschaften

XLogP	5,1
Polarare Oberfläche (TPSA)	109
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	7
Frei drehbare Bindungen	5
Schwere Atome	30
Formalladung	0
Komplexität	700
Siedepunkt	630.6±65.0 °C(Predicted)
Dichte	1.57±0.1 g/cm3(Predicted)
pKa (Säurekonstante)	-2.33±0.20(Predicted)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
Alarmwort	Warnung
Gefahrenhinweise	Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H315

HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke

HCID 2139194Erstellt: 1. November 2026

2-Bromo-6-methoxy-4-((E)-(2-(4-methylphenyl)-6-oxo(1,3)thiazolo(3,2-B)(1,2,4)triazol-5(6H)-ylidene)methyl)phenyl acetate

https://huagongshe.com/de/chemical/2139194

Identifikatoren & physikalische Daten

CAS No.	606953-11-1
Summenformel	C21H16BrN3O4S
Durchschnittliche Molmasse	486,3 g/mol
Monoisotopische Masse	485,00449 g/mol
SMILES	COc1cc(/C=c2/sc3nc(-c4ccc(C)cc4)nn3c2=O)cc(Br)c1OC(C)=O
InChIKey	WQRXMQWJTOWJDA-LICLKQGHSA-N
PubChem CID	2139194
EC No.	645-568-6

Chemische & physikalische Eigenschaften

XLogP	5,1
Polarare Oberfläche (TPSA)	109
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	7
Frei drehbare Bindungen	5
Schwere Atome	30
Formalladung	0
Komplexität	700
Siedepunkt	630.6±65.0 °C(Predicted)
Dichte	1.57±0.1 g/cm3(Predicted)
pKa (Säurekonstante)	-2.33±0.20(Predicted)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
Alarmwort	Warnung
Gefahrenhinweise	Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H315