4-Fluoro-1H-isoindoline hydrochloride

HCID 42609643

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Grundinformationen

CAS: 924305-06-6
Standard-SMILES: Cl.Fc1cccc2c1CNC2
InChIKey: MKNPYNGKUKUSFB-UHFFFAOYSA-N
Summenformel: C8H9ClFN
Durchschnittliche Molmasse: 173,61 g/mol
Monoisotopische Masse: 173,0407551

Namen und Bezeichner

Bevorzugter Name: 4-Fluoro-1H-isoindoline hydrochloride
IUPAC: 4-fluoro-2,3-dihydro-1H-isoindole;hydrochloride
Englischer Name: 4-Fluoro-isoindoline HCl
Summenformel: C8H8FN.ClH
Molmasse: 173.62

Namen und Synonyme

4-Fluoro-1H-isoindoline hydrochlorideRefChem:523034619-606-74-Fluoroisoindoline Hydrochloride924305-06-64-FLUORO-ISOINDOLINE HCL4-Fluoro-2,3-dihydro-1H-isoindole hydrochlorideMFCD107001434-fluoroisoindoline;hydrochloride4-Fluoroisoindoline, HCl4-fluoro-2,3-dihydro-1H-isoindole;hydrochlorideSCHEMBL621622

Weitere Namen anzeigen

4-AzetidinecarboxylicacidFluoroisoindoline-hydrochloride salt4-Fluoroisoindoline hydrochloride 97%4-Fluoro-2,3-dihydro-1H-isoindole HCl3-Fluoro-1H-isoindoline hydrochloride4-fluoro-2,3-dihydro-1H-Isoindole hydrochloride (1:1)1H-Isoindole, 4-fluoro-2,3-dihydro-, hydrochloride (1:1)

MB089844-Fluoroisoindoline hydrochloride, 97%SY009750EN300-2501574-Fluoro-2,3-dihydro-1H-isoindole--hydrogen chloride (1/1)4-FluoroisoindolinehydrochlorideBCP222894-Fluoroisoindolinehydr

Datenbank-Bezeichner

CAS: 924305-06-6
PubChem CID: 42609643
DTXSID: DTXSID00655039
EC Number: 619-606-7

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 12 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 126

Physikochemische Eigenschaften

Schmelzpunkt: 212 · 212-222℃
storage temp.: 2 · 2-8°C
Aggregatzustand: solid
InChI: InChI=1S/C8H8FN.ClH/c9-8-3-1-2-6-4-10-5-7(6)8;/h1-3,10H,4-5H2;1H
InChIKey: MKNPYNGKUKUSFB-UHFFFAOYSA-N
SMILES: FC1C=CC=C2CNCC=12.Cl

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+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.