5-fluoro-1H-indole-3-carbaldehyde

HCID 259089CAS 2338-71-8

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Grundinformationen

Standard-SMILES: O=Cc1c[nH]c2ccc(F)cc12
InChIKey: YUAJKGBLPVLADK-UHFFFAOYSA-N
Summenformel: C9H6FNO
Durchschnittliche Molmasse: 163,15 g/mol
Monoisotopische Masse: 163,04334203

Namen und Bezeichner

Bevorzugter Name: 5-fluoro-1H-indole-3-carbaldehyde
IUPAC: 5-fluoro-1H-indole-3-carbaldehyde
Englischer Name: 5-Fluoroindole-3-carboxaldehyde
Summenformel: C9H6FNO
Molmasse: 163.15

Namen und Synonyme

5-fluoro-1h-indole-3-carbaldehydeRefChem:535710622-412-52338-71-85-Fluoroindole-3-carboxaldehyde1H-Indole-3-carboxaldehyde, 5-fluoro-C9H6FNO5-fluoro-1h-indole-3-carboxaldehyde5-fluoroindole-3-carbaldehydeMFCD000227195-fluoroindol-3-carbaldehydeSTK776271

Weitere Namen anzeigen

120351AKOS JY2083653TIMTEC-BB SBB0029305-Fluoro-3-formylindole5-Fluoro-3-formyl-1H-indole5-Fluoro-3-indolecarboxaldehyde

AKOS004119442CS-W008994SB14970SY034726EN300-60121NSC88615FT-06204235-Fluoroindole-3-aldehyde

Datenbank-Bezeichner

CAS: 2338-71-8
PubChem CID: 259089
DTXSID: DTXSID10293320
EC Number: 622-412-5
Nikkaji: J3.072.305H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 32,9 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 185

Physikochemische Eigenschaften

Schmelzpunkt: 164 °C · 164°C
Siedepunkt: 342.4 · 342.4±22.0 °C(Predicted)
Dichte: 1.385 · 1.385±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
Aggregatzustand: crystalline
pka: 14.66 · 14.66±0.30(Predicted)
Farbe: yellow to green
BRN: 1449216 · 1449216
InChI: 1S/C9H6FNO/c10-7-1-2-9-8(3-7)6(5-12)4-11-9/h1-5,11H
InChIKey: YUAJKGBLPVLADK-UHFFFAOYSA-N
SMILES: Fc1ccc2[nH]cc(C=O)c2c1
CAS Datenbank: 2338 · 2338-71-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29339900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden5-Fluoroindole-3-carboxaldehyde is used as a reagent in the synthetic preparation of compounds requiring an indole group or more specifically a fluoroindole group.