6-Fluoroquinoline-2-carbaldehyde

HCID 3159605CAS 260430-93-1

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Grundinformationen

Standard-SMILES: O=Cc1ccc2cc(F)ccc2n1
InChIKey: JDQMJKKGPXPPOJ-UHFFFAOYSA-N
Summenformel: C10H6FNO
Durchschnittliche Molmasse: 175,16 g/mol
Monoisotopische Masse: 175,04334198

Namen und Bezeichner

Bevorzugter Name: 6-Fluoroquinoline-2-carbaldehyde
IUPAC: 6-fluoroquinoline-2-carbaldehyde
Englischer Name: 6-Fluoroquinoline-2-carboxaldehyde
Summenformel: C10H6FNO
Molmasse: 175.16

Namen und Synonyme

6-fluoroquinoline-2-carbaldehyde260430-93-1DTXSID90390189RefChem:308455DTXCID90341050803-586-32-Quinolinecarboxaldehyde, 6-fluoro-6-FLUOROQUINOLINE-2-CARBOXALDEHYDEMFCD067518496-Fluoro-2-quinolinecarbaldehydeSCHEMBL1914989JDQMJKKGPXPPOJ-UHFFFAOYSA-N

Weitere Namen anzeigen

6-Fluoro-2-quinolinecarboxaldehyde6-Fluoroquinoline-2-carbaldehyde 97%6-Fluoroquinoline-2-carboxaldehyde,97%6-fluoroquinoline-2-carbaldehyde(SALTDATA: FREE)

AKOS000505633SB184596-Fluoroquinoline-2-carboxaldehyde, 96%AS-41356SY027957DB-009960CS-0088148EN300-4274853

Datenbank-Bezeichner

CAS: 260430-93-1
PubChem CID: 3159605
DTXSID: DTXSID90390189
EC Number: 803-586-3
Nikkaji: J3.555.608G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,2
Polarare Oberfläche (TPSA): 30 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 197

Physikochemische Eigenschaften

Schmelzpunkt: 113 · 113-120℃
Siedepunkt: 318 · 318.0±22.0 °C(Predicted)
Dichte: 1.32 · 1.320±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Aggregatzustand: Solid
pka: 2.98 · 2.98±0.43(Predicted)
InChI: InChI=1S/C10H6FNO/c11-8-2-4-10-7(5-8)1-3-9(6-13)12-10/h1-6H
InChIKey: JDQMJKKGPXPPOJ-UHFFFAOYSA-N
SMILES: N1C2C(=CC(F)=CC=2)C=CC=1C=O

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 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.