HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Chlor-6,7-dimethoxychinazolin-4-amin
2-CHLORO-6,7-DIMETHOXYQUINAZOLIN-4-AMINE · 4-AMINO-2-CHLORO-6,7-DIMETHOXYQUINAZOLINE · QUINAZOLINAMINE · 2-CHLORO-6,7-DIMETHOXY-4-QUINAZOLINAMINE · ACDQ · Terazosin-001 · 2-Chloro-4-AMino-6 · TIMTEC-BB SBB000787
Identifikatoren & physikalische Daten
| CAS No. | 23680-84-4 |
|---|---|
| Summenformel | C10H10ClN3O2 |
| Durchschnittliche Molmasse | 239,66 g/mol |
| Monoisotopische Masse | 239,04615424 g/mol |
| SMILES | COc1cc2nc(Cl)nc(N)c2cc1OC |
| InChIKey | HWIIAAVGRHKSOJ-UHFFFAOYSA-N |
| PubChem CID | 90235 |
| ChEMBL | CHEMBL3561187 |
| EC No. | 245-821-7 |
| DTXSID | DTXSID3057694 |
| Lokaler Name | 2-Chlor-6,7-dimethoxychinazolin-4-amin |
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 70,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 244 |
| Schmelzpunkt | 262-268 °C (dec.)(lit.) |
| Siedepunkt | 374.0±42.0 °C(Predicted) |
| Dichte | 1.5062 (rough estimate) |
| Dampfdruck | 0Pa at 25℃ |
| Brechungsindex | 1.5500 (estimate) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | DMSO (Sparingly, Heated), Methanol (Slightly, Heated)1.418g/L at 25℃ |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 4.35±0.30(Predicted) |
| Farbe | White to Off-White |
| BRN | 747463 |
| Hauptanwendungen | pharmaceutical (small molecule) |
| InChI | 1S/C10H10ClN3O2/c1-15-7-3-5-6(4-8(7)16-2)13-10(11)14-9(5)12/h3-4H,1-2H3,(H2,12,13,14) |
| InChIKey | HWIIAAVGRHKSOJ-UHFFFAOYSA-N |
| SMILES | COc1cc2nc(Cl)nc(N)c2cc1OC |
| LogP (Verteilungskoeffizient) | 1.5 at 25℃ |
| CAS Datenbank | 23680-84-4(CAS DataBase Reference) |
| NIST chemische Informationen | 4-Amino-2-chloro-6,7-dimethoxyquinazoline(23680-84-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (37.7%): Harmful if swallowed [Warning Acute toxicity, oral]P260, 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 146 reports by companies from 18 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 16-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/17542 |
| Hazard Classes and Categories | Acute Tox. 4 (37.7%) |
| F | 10 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29339900 |
| R-Sätze (R) | 36/37/38-20/21/22 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 13 - Non Combustible Solids |
Anwendungen & Verwendung
Verwenden
Intermediate in the production on Terazosin.