3,5-Difluoro-4-hydroxybenzaldehyde

HCID 10192584CAS 118276-06-5

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Grundinformationen

Standard-SMILES: O=Cc1cc(F)c(O)c(F)c1
InChIKey: SKOYTQILPMNZQO-UHFFFAOYSA-N
Summenformel: C7H4F2O2
Durchschnittliche Molmasse: 158,1 g/mol
Monoisotopische Masse: 158,01793581

Namen und Bezeichner

Bevorzugter Name: 3,5-Difluoro-4-hydroxybenzaldehyde
IUPAC: 3,5-difluoro-4-hydroxybenzaldehyde
Englischer Name: 3,5-Difluoro-4-hydroxybenzaldehyde
Summenformel: C7H4F2O2
Molmasse: 158.1

Namen und Synonyme

3,5-Difluoro-4-hydroxybenzaldehyde118276-06-5DTXSID20436529RefChem:271759DTXCID50387353642-694-3MFCD067979174-hydroxy-3,5-difluorobenzaldehyde3,5-difluoro-4-hydroxy-benzaldehydeBenzaldehyde, 3,5-difluoro-4-hydroxy-SCHEMBL19229459H-Xanthen-9-one, 2-ethoxy-

Weitere Namen anzeigen

CAS:118276-06-52,6-Difluoro-4-formylphenolBenzaldehyde,3,5-difluoro-4-hydroxy-3,5-Difluoro-4-hydroxybenzaldehyde97%3,5-Difluoro-4-hydroxybenzaldehyde 97%Benzaldehyde, 3,5-difluoro-4-hydroxy- (9CI)

CL8298SBB052175AKOS005257853CS-W007581FD66257PS-8812SY064372DB-006299

Datenbank-Bezeichner

CAS: 118276-06-5
PubChem CID: 10192584
DTXSID: DTXSID20436529
EC Number: 642-694-3
Nikkaji: J3.133.827A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,2
Polarare Oberfläche (TPSA): 37,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 139

Physikochemische Eigenschaften

Schmelzpunkt: 122 · 122-124°C
Siedepunkt: 198.5 · 198.5±35.0 °C(Predicted)
Dichte: 1.464 · 1.464±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 5.27 · 5.27±0.23(Predicted)
Farbe: White to Pale Yellow
InChI: InChI=1S/C7H4F2O2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-3,11H
InChIKey: SKOYTQILPMNZQO-UHFFFAOYSA-N
SMILES: C(=O)C1=CC(F)=C(O)C(F)=C1
CAS Datenbank: 118276 · 118276-06-5(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 9 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

hs_code: 2913000090
hazard_code: Xi
hazard_note: Irritant

Chemie und Industrie

Anwendungen

Verwenden3,5-Difluoro-4-hydroxybenzaldehyde is used in the preparation of (Z)-2,6- difluoro-((2-methyl-5-oxooxazol-4(5H)-ylidene)methyl)phenylacetate.