3,4-Difluoro-2-hydroxybenzaldehyde
Grundinformationen
- CAS
502762-95-0- Standard-SMILES
O=Cc1ccc(F)c(F)c1O- InChIKey
ZIDMZOAQFCFSHA-UHFFFAOYSA-N- Summenformel
- C7H4F2O2
- Durchschnittliche Molmasse
- 158,1 g/mol
- Monoisotopische Masse
- 158,01793581
Namen und Bezeichner
- Bevorzugter Name
- 3,4-Difluoro-2-hydroxybenzaldehyde
- IUPAC
- 3,4-difluoro-2-hydroxybenzaldehyde
- Englischer Name
- Benzaldehyde, 3,4-difluoro-2-hydroxy- (9CI)
- Summenformel
- C7H4F2O2
- Molmasse
- 158.1
Namen und Synonyme
3,4-Difluoro-2-hydroxybenzaldehyde502762-95-0DTXSID50665406RefChem:270913DTXCID50616155642-754-9MFCD08275283BENZALDEHYDE, 3,4-DIFLUORO-2-HYDROXY-Benzaldehyde, 3,4-difluoro-2-hydroxy- (9CI)CL9040SCHEMBL10424303,4-Difluoro-2-hydroxy-benzaldehyde
Weitere Namen anzeigen
3,4-difluorosalicyladehyde
AKOS006345542CS-W021796DS-5536EN300-159999SCHEMBL2971581134-Difluoro-2-hydroxybenzaldehydebenzaldehyde,3,4-difluoro-2-hydroxySY110224
Datenbank-Bezeichner
- CAS
502762-95-0- PubChem CID
- 45083269
- DTXSID
DTXSID50665406- EC Number
- 642-754-9
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,8
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 151
Physikochemische Eigenschaften
- Siedepunkt
- 192.2 · 192.2±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
- pka
- 5.92 · 5.92±0.15(Predicted)
- Aggregatzustand
- crystalline powder
- Farbe
- White
- InChI
- InChI=1S/C7H4F2O2/c8-5-2-1-4(3-10)7(11)6(5)9/h1-3,11H
- InChIKey
- ZIDMZOAQFCFSHA-UHFFFAOYSA-N
- SMILES
- C(=O)C1=CC=C(F)C(F)=C1O
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 2 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
Chemie und Industrie
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