5-Fluorosalicylaldehyde

HCID 2737328

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Grundinformationen

CAS: 347-54-6
Standard-SMILES: O=Cc1cc(F)ccc1O
InChIKey: FDUBQNUDZOGOFE-UHFFFAOYSA-N
Summenformel: C7H5FO2
Durchschnittliche Molmasse: 140,11 g/mol
Monoisotopische Masse: 140,02735756

Namen und Bezeichner

Bevorzugter Name: 5-Fluorosalicylaldehyde
IUPAC: 5-fluoro-2-hydroxybenzaldehyde
Englischer Name: 5-Fluorosalicylaldehyde
Summenformel: C7H5FO2
Molmasse: 140.11

Namen und Synonyme

5-FluorosalicylaldehydeF-SA compoundRefChem:5357965-Fluoro-2-hydroxybenzaldehyde347-54-6MFCD010909972-hydroxy-5-fluoro-benzaldehydeDTXSID50371994STL112266AKOS000346037SY003760EN300-50297

Weitere Namen anzeigen

5-FluoroSalicylicAldehyde5-Fluorosalicylaldehyde>5-Fluorosalicylaldehyde 97%5-FLUORO-2-HYDROXYBENZALDEHY5-Fluorosalicylaldehyde, 98+%5-Fluorosalicylaldehyde, 97%,5-Fluoro-2-hydroxybenzaldehyde,97%

Z415638796Benzaldehyde, 5-fluoro-2-hydroxy-5-fluoro-2-hydroxy-benzaldehyde2-hydroxy-5-fluorobenzaldehydeBCP184385-fluoro salicylaldehydeAM20040233FT-0631996

Datenbank-Bezeichner

CAS: 347-54-6
PubChem CID: 2737328
DTXSID: DTXSID50371994
EC Number: 626-267-9
Nikkaji: J612.214K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,7
Polarare Oberfläche (TPSA): 37,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 127

Physikochemische Eigenschaften

Schmelzpunkt: 82 · 82-85 °C (lit.)
Siedepunkt: 56 °C · 56 °C / 1mmHg
Dichte: 1.35 · 1.350±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: soluble in Methanol
pka: 8.18 · 8.18±0.18(Predicted)
Aggregatzustand: Powder or Flakes
Farbe: White to Orange to Green
InChI: InChI=1S/C7H5FO2/c8-6-1-2-7(10)5(3-6)4-9/h1-4,10H
InChIKey: FDUBQNUDZOGOFE-UHFFFAOYSA-N
SMILES: C(=O)C1=CC(F)=CC=C1O
CAS Datenbank: 347 · 347-54-6(CAS DataBase Reference)

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 (98%): 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 50 reports by companies from 9 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.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (98%)

Sicherheitsdaten

wgk: 3
hs_code: 29130000
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden5-Fluorosalicylaldehyde may be used to synthesize:managanese (III) complex [MnLa(μ1,3-N3)]n [H2La = N,N′-bis(5-fluorosalicylidene)-1,2-diaminoethane]enantiopure 4-amino-6-fluoro-3-(hydroxymethyl)chromanes4,4′-difluoro-2,2′-[(hydrazine-1,2-diylidene)bis(methanylylidene)]-diphenolN,N′-bis(5-fluoro-2-hydroxybenzylidene)ethylenediamineN,N′-(2-hydroxypropane-1,3-diyl)-bis(salicylaldimine (H2L)