1-Bromoisoquinolin-3-amine

1-Bromo-3-isoquinolinamine · 1-BROMOISOQUINOLIN-3-AMINE · 3-AMINO-1-BROMOISOQUINOLINE · 1-BROMOISOQUINOLINE-3-AMINE · 3-Isoquinolinamine, 1-bromo- · 1-BROMOISOQUINOLIN-3-YLAMINE · 1-BroMo-iso-3-aMino-quinoline · 3-Amino-1-bromoisoquinoline 98%

https://huagongshe.com/de/chemical/289845

Molekülstruktur von 1-Bromoisoquinolin-3-amine

Identifikatoren & physikalische Daten

CAS No.	13130-79-5
Summenformel	C9H7BrN2
Durchschnittliche Molmasse	223,07 g/mol
Monoisotopische Masse	221,97926032 g/mol
SMILES	Nc1cc2ccccc2c(Br)n1
InChIKey	PSQUIUNIVDKHJK-UHFFFAOYSA-N
PubChem CID	289845
EC No.	681-129-5
DTXSID	DTXSID50302622

Chemische & physikalische Eigenschaften

XLogP	2,8
Polarare Oberfläche (TPSA)	38,9
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	0
Schwere Atome	12
Formalladung	0
Komplexität	163
Schmelzpunkt	144 °C
Siedepunkt	387.8±22.0 °C(Predicted)
Dichte	1.649±0.06 g/cm3(Predicted)
Lagerbedingungen	under inert gas (nitrogen or Argon) at 2–8 °C
Aggregatzustand	solid
pKa (Säurekonstante)	1.73±0.50(Predicted)
Farbe	Yellow
Löslichkeit	Slightly soluble in water.
CAS Datenbank	13130-79-5(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (28.6%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (28.6%)
Zollcode	2933491090
Gefahrensymbole	Xi
hazard_note	Irritant

Anwendungen & Verwendung

Verwenden

3-Amino-1-bromoisoquinoline is used as pharmaceutical intermediate.