5-Bromoisoquinolin-8-amine

HCID 16218302CAS 90721-35-0

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Grundinformationen

Standard-SMILES: Nc1ccc(Br)c2ccncc12
InChIKey: BTFXYVXBWMRHIB-UHFFFAOYSA-N
Summenformel: C9H7BrN2
Durchschnittliche Molmasse: 223,07 g/mol
Monoisotopische Masse: 221,97926

Namen und Bezeichner

Bevorzugter Name: 5-Bromoisoquinolin-8-amine
IUPAC: 5-bromoisoquinolin-8-amine
Englischer Name: 5-BROMO-8-ISOQUINOLINEAMINE
Summenformel: C9H7BrN2
Molmasse: 223.07

Namen und Synonyme

5-Bromoisoquinolin-8-amine90721-35-0DTXSID50584865RefChem:302048DTXCID50535630624-825-68-Amino-5-bromoisoquinoline5-Bromo-8-isoquinolineamine5-Bromoisoquinolin-8-ylamineMFCD092610475-BROMO-ISOQUINOLIN-8-YLAMINE8-ISOQUINOLINAMINE, 5-BROMO-

Weitere Namen anzeigen

8-Isoquinolinamine,5-bromo-(9CI)5-BROMO-8-ISOQUINOLINEAMINE ISO 9001：2015 REACH5-Bromoisoquinolin-8-amine, 5-Bromo-2-azanaphthalen-8-amine

CHEMBL4848146SCHEMBL2468235- Bromoisoquinolin-8-amine5-BROMO-8-ISOQUINOLINAMINESCHEMBL30319516BTFXYVXBWMRHIB-UHFFFAOYSA-N5-BROMO-8-AMINOISOQUINOLINE8-Amino-5-bromoisoquinoline, 90%

Datenbank-Bezeichner

CAS: 90721-35-0
PubChem CID: 16218302
DTXSID: DTXSID50584865
ChEMBL: CHEMBL4848146
EC Number: 624-825-6

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,1
Polarare Oberfläche (TPSA): 38,9 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 163

Physikochemische Eigenschaften

Schmelzpunkt: 186 · 186-190 °C
Siedepunkt: 370.3 · 370.3±27.0 °C(Predicted)
Dichte: 1.649 · 1.649±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Aggregatzustand: Crystalline Powder
pka: 5.22 · 5.22±0.36(Predicted)
Farbe: Off-white to brown
InChI: 1S/C9H7BrN2/c10-8-1-2-9(11)7-5-12-4-3-6(7)8/h1-5H,11H2
InChIKey: BTFXYVXBWMRHIB-UHFFFAOYSA-N
SMILES: Nc1ccc(Br)c2ccncc12

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301 (95.2%): Toxic if swallowed [Danger Acute toxicity, oral]；H319 (95.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (95.2%)；Eye Irrit. 2A (95.2%)

Sicherheitsdaten

wgk: 3
ridadr: UN 2811 6.1/PG 3
hs_code: 2933499090
risk_code: 25-36
hazard_code: T
safety_code: 26-45
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2