7-Fluoro-2,3-dihydro-1H-indole

HCID 16768261CAS 769966-04-3

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Grundinformationen

Standard-SMILES: Fc1cccc2c1NCC2
InChIKey: AGJTUVBSTFSZFY-UHFFFAOYSA-N
Summenformel: C8H8FN
Durchschnittliche Molmasse: 137,15 g/mol
Monoisotopische Masse: 137,06407742

Namen und Bezeichner

Bevorzugter Name: 7-Fluoro-2,3-dihydro-1H-indole
IUPAC: 7-fluoro-2,3-dihydro-1H-indole
Englischer Name: 7-Fluoroindoline
Summenformel: C8H8FN
Molmasse: 137.15

Namen und Synonyme

769966-04-37-fluoro-2,3-dihydro-1H-indoleDTXSID60588036RefChem:310765DTXCID70538800822-490-27-FluoroindolineMFCD090418251H-INDOLE,7-FLUORO-2,3-DIHYDRO-1H-Indole, 7-fluoro-2,3-dihydro-SCHEMBL515124SCHEMBL5543201

Weitere Namen anzeigen

7-Fluoroindoline in stock Factory

AKOS BBV-003106TQP1219AGJTUVBSTFSZFY-UHFFFAOYSA-NOTAVA-BB 1118853AKOS002433798SB386727-Fluoroindoline in stock FactoryAC-27815

Datenbank-Bezeichner

CAS: 769966-04-3
PubChem CID: 16768261
DTXSID: DTXSID60588036
EC Number: 822-490-2

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 12 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 126

Physikochemische Eigenschaften

Siedepunkt: 216.3 · 216.3±29.0 °C(Predicted)
Dichte: 1.154 · 1.154±0.06 g/cm3(Predicted)
storage temp.: -20 °C, · -20°C, sealed storage, away from moisture
pka: 3.9 · 3.90±0.20(Predicted)
InChI: InChI=1S/C8H8FN/c9-7-3-1-2-6-4-5-10-8(6)7/h1-3,10H,4-5H2
InChIKey: AGJTUVBSTFSZFY-UHFFFAOYSA-N
SMILES: N1C2=C(C=CC=C2F)CC1

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 2 reports by companies from 1 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.