8-Bromo-3-methoxyisoquinoline

HCID 52270657

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 608515-50-0
Standard-SMILES: COc1cc2cccc(Br)c2cn1
InChIKey: PKOWJHRDTZPIHB-UHFFFAOYSA-N
Summenformel: C10H8BrNO
Durchschnittliche Molmasse: 238,08 g/mol
Monoisotopische Masse: 236,97893

Namen und Bezeichner

Bevorzugter Name: 8-Bromo-3-methoxyisoquinoline
IUPAC: 8-bromo-3-methoxyisoquinoline
Englischer Name: 8-broMo-3-Methoxyisoquinoline
Summenformel: C10H8BrNO
Molmasse: 238.08

Namen und Synonyme

8-Bromo-3-methoxyisoquinoline608515-50-0DTXSID20680469RefChem:106957DTXCID60631218663-772-3SCHEMBL5657797MFCD166522698-Bromo-3-methoxyisoquinoline, >=90%FT-0705879DA-04452SY471446

Weitere Namen anzeigen

Isoquinoline, 8-bromo-3-methoxy-8-Bromo-3-methoxyisoquinoline >=90%

H83688

Datenbank-Bezeichner

CAS: 608515-50-0
PubChem CID: 52270657
DTXSID: DTXSID20680469
EC Number: 663-772-3

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,1
Polarare Oberfläche (TPSA): 22,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 176

Physikochemische Eigenschaften

Schmelzpunkt: 61 · 61-67°C
Aggregatzustand: solid
InChI: 1S/C10H8BrNO/c1-13-10-5-7-3-2-4-9(11)8(7)6-12-10/h2-6H,1H3
InChIKey: PKOWJHRDTZPIHB-UHFFFAOYSA-N
SMILES: COc1cc2cccc(Br)c2cn1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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.；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.