HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Aklomid
AKLOMIDE · Clomide · Aklomix · Akomide · Alkomide · Aklomide Standard · C10049000 Aklomide · component of Aklomix
Identifikatoren & physikalische Daten
| CAS No. | 3011-89-0 |
|---|---|
| Summenformel | C7H5ClN2O3 |
| Durchschnittliche Molmasse | 200,58 g/mol |
| Monoisotopische Masse | 199,9988697 g/mol |
| SMILES | NC(=O)c1ccc([N+](=O)[O-])cc1Cl |
| InChIKey | GFGSZUNNBQXGMK-UHFFFAOYSA-N |
| PubChem CID | 2075 |
| ChEMBL | CHEMBL1450565 |
| ChEBI | CHEBI:109542 |
| EC No. | 221-143-7 |
| DTXSID | DTXSID3041405 |
| Lokaler Name | Aklomid |
Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 88,9 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 228 |
| Schmelzpunkt | 171-173°C |
| Siedepunkt | 335.8±32.0 °C(Predicted) |
| Dichte | 1.520±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | DMSO: 250 mg/mL (1246.39 mM) |
| pKa (Säurekonstante) | 14.39±0.50(Predicted) |
| Aggregatzustand | Solid |
| Farbe | White to Light yellow |
| BRN | 1966537 |
| Hauptanwendungen | forensics and toxicologypharmaceutical (small molecule) |
| InChI | 1S/C7H5ClN2O3/c8-6-3-4(10(12)13)1-2-5(6)7(9)11/h1-3H,(H2,9,11) |
| InChIKey | GFGSZUNNBQXGMK-UHFFFAOYSA-N |
| SMILES | NC(=O)c1ccc(cc1Cl)[N+]([O-])=O |
| CAS Datenbank | 3011-89-0(CAS DataBase Reference) |
| EPA chemische Informationen | 2-Chloro-4-nitrobenzamide (3011-89-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzamide, 2-chloro-4-nitro- |
| Weitere Sicherheitsinformationen | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
| Hazard Classes and Categories | Acute Tox. 4 (97.5%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2924297099 |
| R-Sätze (R) | 22-36/37/38 |
| Gefahrensymbole | Xn |
| hazard_note | Harmful |
| Sicherheitshinweise (S) | 26 |
| Gefahrenklasse | IRRITANTAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
antineoplastic, antimetabolite