HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Phenazinecarboxylic acid
ShenqinMycin · emr211 · NSC 15851 · nrrlb-1482 · nrrlb-1576 · Tubermycin B · JACS-2538-68-3 · R)-SULFOXIMINE
Identifikatoren & physikalische Daten
| CAS No. | 2538-68-3 |
|---|---|
| Summenformel | C13H8N2O2 |
| Durchschnittliche Molmasse | 224,21 g/mol |
| Monoisotopische Masse | 224,0585775 g/mol |
| SMILES | O=C(O)c1cccc2nc3ccccc3nc12 |
| InChIKey | JGCSKOVQDXEQHI-UHFFFAOYSA-N |
| PubChem CID | 95069 |
| ChEMBL | CHEMBL463686 |
| ChEBI | CHEBI:62412 |
| EC No. | 807-831-5 |
| DTXSID | DTXSID30180026 |
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 63,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 308 |
| Schmelzpunkt | 242-244℃ |
| Siedepunkt | 494.6±10.0 °C(Predicted) |
| Dichte | 1.431±0.06 g/cm3 (20 ºC 760 Torr) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly, Heated) |
| pKa (Säurekonstante) | 2.15±0.30(Predicted) |
| Aggregatzustand | Solid |
| Farbe | Brown to Orange-Brown |
| InChI | InChI=1S/C13H8N2O2/c16-13(17)8-4-3-7-11-12(8)15-10-6-2-1-5-9(10)14-11/h1-7H,(H,16,17) |
| InChIKey | JGCSKOVQDXEQHI-UHFFFAOYSA-N |
| SMILES | C1(C(O)=O)C2C(=NC3C(N=2)=CC=CC=3)C=CC=1 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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 | Acute Tox. 4 (100%) |
| Zollcode | 2917399590 |
| Toxizität | LD50 intraperitoneal in mouse: 400mg/kg |
| Gefahrensymbole | Xi |
Anwendungen & Verwendung
Verwenden
A microorganism based antimicrobial with high efficiency, low toxicity and good environmental compatibility. A key effective component of the pesticide M18.