Grundinformationen
- Standard-SMILES
O=Cc1cnc[nH]1- InChIKey
ZQEXIXXJFSQPNA-UHFFFAOYSA-N- Summenformel
- C4H4N2O
- Durchschnittliche Molmasse
- 96,089 g/mol
- Monoisotopische Masse
- 96,03236275
Namen und Bezeichner
- Bevorzugter Name
- 1H-Imidazole-4-carbaldehyde
- IUPAC
- 1H-Imidazole-5-carbaldehyde
- Lokaler Name
- 1H-Imidazol-4-carbaldehyd
- Englischer Name
- 1H-Imidazole-4-carbaldehyde
- Summenformel
- C4H4N2O
- Molmasse
- 96.09
Namen und Synonyme
1H-Imidazole-5-carbaldehyde4-FORMYLIMIDAZOLEImidazole-4-carbaldehyde4-IMIDAZOLECARBOXALDEHYDEIMIDAZOLE-4-CARBOXALDEHYDE4-imidazole formaldehyde4(5)-IMIDAZOLECARBOXALDEHYDE1H-IMIDAZOLE-4-CARBOXALDEHYDEFPFFecarboxaL
Datenbank-Bezeichner
- CAS
3034-50-2- PubChem CID
- 76428
- DTXSID
DTXSID70184427- UNII
- DWG32KT6XA
- EC Number
- 221-227-3
- Nikkaji
- J205.342J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,1
- Polarare Oberfläche (TPSA)
- 45,8 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 74
Physikochemische Eigenschaften
- Schmelzpunkt
- 174 · 174-177 °C (lit.)
- Siedepunkt
- 367.8 · 367.8±15.0 °C(Predicted)
- Dichte
- 1.322 · 1.322±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Löslichkeit
- Soluble in DMSO, methanol.
- pka
- 11.05 · 11.05±0.10(Predicted)
- Aggregatzustand
- Solid
- Farbe
- Light Tan
- InChI
- InChI=1S/C4H4N2O/c7-2-4-1-5-3-6-4/h1-3H,(H,5,6)
- InChIKey
- ZQEXIXXJFSQPNA-UHFFFAOYSA-N
- SMILES
- C1NC(C=O)=CN=1
- CAS Datenbank
- 3034 · 3034-50-2(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (98%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (98%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (96%): 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 (98%)；Eye Irrit. 2 (98%)；STOT SE 3 (96%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29332900
- risk_code
- 36/37/38-20/21/22
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
- safety_code
- 26-36-36/37/39
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
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