4-Bromobenzyl 4-ethyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-YL sulfide

https://huagongshe.com/de/chemical/3691809

Identifikatoren & physikalische Daten

CAS No.	618427-44-4
Summenformel	C15H14BrN5S
Durchschnittliche Molmasse	376,3 g/mol
Monoisotopische Masse	375,01533 g/mol
SMILES	CCn1c(SCc2ccc(Br)cc2)nnc1-c1cnccn1
InChIKey	NQROAQJJFSIVJN-UHFFFAOYSA-N
PubChem CID	3691809
EC No.	643-880-7

Chemische & physikalische Eigenschaften

XLogP	2,3
Polarare Oberfläche (TPSA)	81,8
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	5
Frei drehbare Bindungen	5
Schwere Atome	22
Formalladung	0
Komplexität	340

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%)

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%)