7-Bromo-1-methyl-1H-imidazo[4,5-c]pyridin-4(5H)-one

7-Bromo-1-methyl-1H-imidazo[4,5-c]pyridin-4-ol · 7-bromo-1-methyl-5H-imidazo[4,5-c]pyridin-4-one · 7-bromo-1-methyl-1H-imidazo[4,5-c]pyridin-4(5H)-one · 7-bromo-1-methyl-5H-imidazo[4,5-c]pyridin-4-one - [B83439] · 7-Bromo-1,5-dihydro-1-methyl-4H-imidazo[4,5-c]pyridin-4-one · 4H-Imidazo[4,5-c]pyridin-4-one, 7-bromo-1,5-dihydro-1-methyl- · 7-bromo-1-methyl-1H-imidazo[4,5-c]pyridin-4(5H)-one(WXC05963)

https://huagongshe.com/de/chemical/915511

Molekülstruktur von 7-Bromo-1-methyl-1H-imidazo[4,5-c]pyridin-4(5H)-one

Identifikatoren & physikalische Daten

CAS No.	163452-73-1
Summenformel	C7H6BrN3O
Durchschnittliche Molmasse	228,05 g/mol
Monoisotopische Masse	226,96942 g/mol
SMILES	Cn1cnc2c(=O)[nH]cc(Br)c21
InChIKey	RXERNKSTSSWUPU-UHFFFAOYSA-N
PubChem CID	915511
EC No.	958-184-1

Chemische & physikalische Eigenschaften

XLogP	0,2
Polarare Oberfläche (TPSA)	46,9
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	0
Schwere Atome	12
Formalladung	0
Komplexität	253
Siedepunkt	548.7±50.0 °C(Predicted)
Dichte	1.94±0.1 g/cm3(Predicted)
Lagerbedingungen	2-8°C, stored under nitrogen
pKa (Säurekonstante)	10.81±0.40(Predicted)

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.
Alarmwort	Warnung
Gefahrenhinweise	Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302