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Methyl-3-chlor-4-hydroxybenzoat
RARECHEM AL BF 0232 · Methyl 3-chloro-4-hydroxybenzoat · Methyl 3-chloro-4-hydroxybenzoate · METHYL-4-HYDROXY-3-CHLOROBENZOATE · 3-chloro-4-hydroxy-2-methylbenzoate · Methyl 3-chloro-4-hydroxybenzoate-98% · 3-CHLORO-4-HYDROXYBENZOIC ACID METHYL ESTER · 4-HYDROXY-3-CHLOROBENZOIC ACID METHYL ESTER
Identifikatoren & physikalische Daten
| CAS No. | 3964-57-6 |
|---|---|
| Summenformel | C8H7ClO3 |
| Durchschnittliche Molmasse | 186,59 g/mol |
| Monoisotopische Masse | 186,00837176 g/mol |
| SMILES | COC(=O)c1ccc(O)c(Cl)c1 |
| InChIKey | ZSBIMTDWIGWJPW-UHFFFAOYSA-N |
| PubChem CID | 77580 |
| EC No. | 223-573-0 |
| DTXSID | DTXSID90192746 |
| Lokaler Name | Methyl-3-chlor-4-hydroxybenzoat |
Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 172 |
| Schmelzpunkt | 108-110°C |
| Siedepunkt | 284.9±20.0 °C(Predicted) |
| Dichte | 1.354±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 6.89±0.18(Predicted) |
| BRN | 2641291 |
| InChI | InChI=1S/C8H7ClO3/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4,10H,1H3 |
| InChIKey | ZSBIMTDWIGWJPW-UHFFFAOYSA-N |
| SMILES | C(OC)(=O)C1=CC=C(O)C(Cl)=C1 |
| CAS Datenbank | 3964-57-6(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (14.3%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (14.3%) |
| Sicherheitshinweise (S) | 22-24/25 |
Anwendungen & Verwendung
Verwenden
Methyl 3-Chloro-4-hydroxybenzoate is a reagent in the preparation of alkylidene hydrazides as human glucagon receptor antagonists for the treatment of hyperglycemia and diabetes.