Grundinformationen
- Standard-SMILES
O=Cc1cc(-c2ccccc2)no1- InChIKey
SZXMDUKWIYIKKS-UHFFFAOYSA-N- Summenformel
- C10H7NO2
- Durchschnittliche Molmasse
- 173,17 g/mol
- Monoisotopische Masse
- 173,04767846
Namen und Bezeichner
- Bevorzugter Name
- 3-Phenyl-1,2-oxazole-5-carbaldehyde
- IUPAC
- 3-phenyl-1,2-oxazole-5-carbaldehyde
- Englischer Name
- 3-Phenylisoxazole-5-carboxaldehyde 97%
- Summenformel
- C10H7NO2
- Molmasse
- 173.17
Namen und Synonyme
3-phenyl-1,2-oxazole-5-carbaldehydeRefChem:504807687-036-63-PHENYLISOXAZOLE-5-CARBALDEHYDE72418-40-73-Phenylisoxazole-5-carboxaldehydeMFCD098175433-phenyl-5-isoxazolecarbaldehyde3-Phenylisoxazole-5-aldehyde3-phenyl-isoxazole-5-aldehydeSCHEMBL1312698SCHEMBL6452695
Weitere Namen anzeigen
3-Phenyl isoxazole-5-carbaxaldehyde3-Phenylisoxazole-5-carboxaldehyde97%3-Phenylisoxazole-5-carboxaldehyde 97%3-Phenylisoxazole-5-carboxaldehyde 97%3-phenyl-5-isoxazolecarbaldehyde(SALTDATA: FREE)
SCHEMBL20448731DTXSID60463657SZXMDUKWIYIKKS-UHFFFAOYSA-N3-phenyl-5-isoxazolecarboxaldehydeSBB073328STL4148335-Isoxazolecarboxaldehyde, 3-phenyl-AKOS005169220
Datenbank-Bezeichner
- CAS
72418-40-7- PubChem CID
- 11367267
- DTXSID
DTXSID60463657- EC Number
- 687-036-6
- Nikkaji
- J1.528.033F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,8
- Polarare Oberfläche (TPSA)
- 43,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 178
Physikochemische Eigenschaften
- Schmelzpunkt
- 72.5 · 72.5-74°C
- storage temp.
- 2 · 2-8°C
- Aggregatzustand
- crystals
- Farbe
- Pale yellow
- InChI
- 1S/C10H7NO2/c12-7-9-6-10(11-13-9)8-4-2-1-3-5-8/h1-7H
- InChIKey
- SZXMDUKWIYIKKS-UHFFFAOYSA-N
- SMILES
- O=Cc1cc(no1)-c2ccccc2
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 2934999090
- risk_code
- 22
- hazard_code
- Xn
- hazard_class
- IRRITANT
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 Oral
Chemie und Industrie
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