2H-Benzotriazole-4-carbaldehyde
Grundinformationen
- CAS
125873-34-9- Standard-SMILES
O=Cc1cccc2[nH]nnc12- InChIKey
QLTUPLHGMRZXEO-UHFFFAOYSA-N- Summenformel
- C7H5N3O
- Durchschnittliche Molmasse
- 147,13 g/mol
- Monoisotopische Masse
- 147,04326179
Namen und Bezeichner
- Bevorzugter Name
- 2H-Benzotriazole-4-carbaldehyde
- IUPAC
- 2H-benzotriazole-4-carbaldehyde
- Englischer Name
- 1H-Benzotriazole-4-carboxaldehyde (9CI)
- Summenformel
- C7H5N3O
- Molmasse
- 147.13
Namen und Synonyme
125873-34-92H-benzotriazole-4-carbaldehydeDTXSID60564532RefChem:268604DTXCID205153081H-Benzotriazole-7-carboxaldehyde1H-benzo[d][1,2,3]triazole-4-carbaldehyde1H-1,2,3-BENZOTRIAZOLE-4-CARBALDEHYDE1h-benzotriazole-4-carbaldehydebenzotriazole aldehyde1H-Benzotriazole-4-carboxaldehyde (9CI)SCHEMBL221979
Weitere Namen anzeigen
SCHEMBL988482SCHEMBL27551444SCHEMBL29475281QLTUPLHGMRZXEO-UHFFFAOYSA-N2H-1,2,3-Benzotriazole-4-carbaldehyde
Datenbank-Bezeichner
- CAS
125873-34-9- PubChem CID
- 14835683
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,5
- Polarare Oberfläche (TPSA)
- 58,6 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 162
Physikochemische Eigenschaften
- Schmelzpunkt
- 220 · 220-223 °C(Solv: ethyl acetate (141-78-6))
- Siedepunkt
- 448.9 · 448.9±18.0 °C(Predicted)
- Dichte
- 1.471 · 1.471±0.06 g/cm3(Predicted)
- pka
- 7.22 · 7.22±0.40(Predicted)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 1 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 CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Sicherheitsdaten
- Alarmwort
- Warnung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302
Chemie und Industrie
Anbieter2 Anbieter
CHEMSTEP[email protected]
Roshel Laboratories[email protected]
Zugehörige Reaktionen
1
Notizen zur Verbindung
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