Grundinformationen
- Standard-SMILES
O=CC1=Cc2cc(O)ccc2OC1- InChIKey
JSPGOHYLKVWWKI-UHFFFAOYSA-N- Summenformel
- C10H8O3
- Durchschnittliche Molmasse
- 176,17 g/mol
- Monoisotopische Masse
- 176,04734412
Namen und Bezeichner
- Bevorzugter Name
- 6-Hydroxychromene-3-carboxaldehyde
- IUPAC
- 6-hydroxy-2H-chromene-3-carbaldehyde
- Englischer Name
- 6-Hydroxychromene-3-carboxaldehyde
- Summenformel
- C10H8O3
- Molmasse
- 176.17
Namen und Synonyme
6-Hydroxychromene-3-carboxaldehydeDTXSID50406391RefChem:308588DTXCID00357243634-376-8134822-76-76-hydroxy-2H-chromene-3-carbaldehydePS-115686-Hydroxy-2H-1-benzopyran-3-carbaldehyde6-hydroxy-2H-1-benzopyran-3-carboxaldehydeCS-0324481ST50827392
Weitere Namen anzeigen
6-Hydroxy-4H-chroMene-3-carbaldehyde6-Hydroxy-2H-Chromene-3-Carboxaldehyde6-Hydroxy-2H-chromene-3-carboxaldehyde, 97%2H-1-Benzopyran-3-carboxaldehyde, 6-hydroxy-
E84223F725372
Datenbank-Bezeichner
- CAS
134822-76-7- PubChem CID
- 4770815
- DTXSID
DTXSID50406391- EC Number
- 634-376-8
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,1
- Polarare Oberfläche (TPSA)
- 46,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 234
Physikochemische Eigenschaften
- Schmelzpunkt
- 170 · 170-174 °C
- Siedepunkt
- 395.5 · 395.5±42.0 °C(Predicted)
- Dichte
- 1.425 · 1.425±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- Aggregatzustand
- claggy powder
- pka
- 9.7 · 9.70±0.20(Predicted)
- Farbe
- Bright yellow/orange
- BRN
- 6646155 · 6646155
- CAS Datenbank
- 134822 · 134822-76-7
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 2 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 2932990090
- RTECS-Nr.
- DJ2220000
- risk_code
- 36
- hazard_code
- Xi
- safety_code
- 26
Chemie und Industrie
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