HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1,2-Dihydro-3H-indazol-3-on
1,2-DIHYDRO-3H-INDAZOL-3-ONE · 1H-INDAZOL-3-OL · Indazolinone · 1H-indazol-3(2H)-one · INDAZOLONE · 3-indazolone · 3-indazoldone · 3-INDAZOLINONE
Identifikatoren & physikalische Daten
| CAS No. | 7364-25-2 |
|---|---|
| Summenformel | C7H6N2O |
| Durchschnittliche Molmasse | 134,14 g/mol |
| Monoisotopische Masse | 134,04801282 g/mol |
| SMILES | O=c1[nH][nH]c2ccccc12 |
| InChIKey | SWEICGMKXPNXNU-UHFFFAOYSA-N |
| PubChem CID | 81829 |
| ChEMBL | CHEMBL276725 |
| EC No. | 230-904-2 |
| DTXSID | DTXSID2049428 |
| Lokaler Name | 1,2-Dihydro-3H-indazol-3-on |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 41,1 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 158 |
| Schmelzpunkt | 250-252 °C (lit.) |
| Siedepunkt | 247.23°C (rough estimate) |
| Dichte | 1.2296 (rough estimate) |
| Brechungsindex | 1.5880 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 11.94±0.20(Predicted) |
| Farbe | White to Light yellow to Light orange |
| BRN | 3733 |
| InChI | InChI=1S/C7H6N2O/c10-7-5-3-1-2-4-6(5)8-9-7/h1-4H,(H2,8,9,10) |
| InChIKey | SWEICGMKXPNXNU-UHFFFAOYSA-N |
| SMILES | N1C2=C(C=CC=C2)C(=O)N1 |
| CAS Datenbank | 7364-25-2(CAS DataBase Reference) |
| NIST chemische Informationen | 3H-indazol-3-one, 1,2-dihydro-(7364-25-2) |
| EPA chemische Informationen | 3H-Indazol-3-one, 1,2-dihydro- (7364-25-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (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 exposureRespiratory 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (100%) |
| F | 10 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2933998090 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 22-24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
3-Indazolinone is used as catalytic agent, petrochemical additive.