HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
alpha-Hydroxytriazolam
1HydroxyTriazolam · α-Hydroxytriazolam · A-hydroxytriazolam · ALPHA-HYDROXYTRIAZOLAM · 1-Hydroxymethyltriazolam · α-hydroxy Triazolam (CRM) · α-Hydroxytriazolam solution · alpha-Hydroxytriazolam solution
Identifikatoren & physikalische Daten
| CAS No. | 37115-45-0 |
|---|---|
| Summenformel | C17H12Cl2N4O |
| Durchschnittliche Molmasse | 359,2 g/mol |
| Monoisotopische Masse | 358,0388164 g/mol |
| SMILES | OCc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2 |
| InChIKey | BHUYWUDMVCLHND-UHFFFAOYSA-N |
| PubChem CID | 1963 |
| ChEMBL | CHEMBL3246753 |
| ChEBI | CHEBI:166535 |
| EC No. | 636-834-2 |
| DTXSID | DTXSID50958284 |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 63,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 24 |
| Formalladung | 0 |
| Komplexität | 491 |
| Kovats Retention Index | 3020 |
| Schmelzpunkt | 239-241°C |
| Siedepunkt | 581.7±60.0 °C(Predicted) |
| Dichte | 1.54±0.1 g/cm3(Predicted) |
| Flammpunkt | 9℃ |
| Lagerbedingungen | Controlled Substance, -20°C Freezer |
| Löslichkeit | DMF (Slightly), DMSO (Slightly) |
| Aggregatzustand | White solid. |
| pKa (Säurekonstante) | 12.90±0.10(Predicted) |
| InChI | 1S/C17H12Cl2N4O/c18-10-5-6-14-12(7-10)17(11-3-1-2-4-13(11)19)20-8-15-21-22-16(9-24)23(14)15/h1-7,24H,8-9H2 |
| InChIKey | BHUYWUDMVCLHND-UHFFFAOYSA-N |
| SMILES | OCc1nnc2CN=C(c3ccccc3Cl)c4cc(Cl)ccc4-n12 |
| CAS Datenbank | 37115-45-0 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]H361 (97.5%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]P203, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 2 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. |
|---|---|
| Regulatorische Informationen | 4H-1,2,4Triazolo4,3-a1,4benzodiazepine-1-methanol, 8-chloro-6-(2-chlorophenyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Hazard Classes and Categories | Acute Tox. 4 (100%)Repr. 2 (97.5%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN1230 - class 3 - PG 2 - Methanol, solution |
| R-Sätze (R) | 20/21/22-63-39/23/24/25-23/24/25-11 |
| Gefahrensymbole | Xn,T,F |
| Sicherheitshinweise (S) | 22-36-45-36/37-16-7 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralRepr. 2 |
Anwendungen & Verwendung
Verwenden
A metabolite of Triazolam (T767380).