3-bromo-6-methyl-5H,6H,7H-pyrrolo[3,4-b]pyridin-7-one

3-bromo-6-methyl-5,6-dihydro-7H-pyrrolo[3,4-b]pyridin-7-one · 3-bromo-6-methyl-5H-pyrrolo[3,4-b]pyridin-7-one · 3-bromo-6-methyl-5H-pyrrolo[3,4-b]pyridin-7(6H)-one · 3-Bromo-6-Methyl-5,6-Dihydro-Pyrrolo[3,4-B]Pyridin-7-One · 7H-Pyrrolo[3,4-b]pyridin-7-one, 3-bromo-5,6-dihydro-6-methyl- · 3-Bromo-6-Methyl-5,6-Dihydro-Pyrrolo[3,4-B]Pyridin-7-One(WX637150)

https://huagongshe.com/de/chemical/59568581

Molekülstruktur von 3-bromo-6-methyl-5H,6H,7H-pyrrolo[3,4-b]pyridin-7-one

Identifikatoren & physikalische Daten

CAS No.	1254319-55-5
Summenformel	C8H7BrN2O
Durchschnittliche Molmasse	227,06 g/mol
Monoisotopische Masse	225,97417494 g/mol
SMILES	CN1Cc2cc(Br)cnc2C1=O
InChIKey	BIAJIZVBOQVDTC-UHFFFAOYSA-N
PubChem CID	59568581
EC No.	889-741-6
DTXSID	DTXSID301190128

Chemische & physikalische Eigenschaften

XLogP	0,9
Polarare Oberfläche (TPSA)	33,2
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	0
Schwere Atome	12
Formalladung	0
Komplexität	209
Siedepunkt	376.5±42.0 °C(Predicted)
Dichte	1.675±0.06 g/cm3(Predicted)
Lagerbedingungen	Storage temp. 2-8°C
pKa (Säurekonstante)	0.75±0.20(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.
Hazard Classes and Categories	Acute Tox. 4 (100%)
Zollcode	2933998090