HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 69138Erstellt: 27. Oktober 2026
o-(Methylamino)phenol
NSC 245030 · 2-Methylaminophenol · o-(methylamino)phenol · Neostigmine Impurity 5 · 2-Methylaminophenol,97% · Phenol,2-(methylamino)- · 2-Hydroxy-N-methylaniline · N-Methyl-o-hydroxyaniline
https://huagongshe.com/de/chemical/69138
Identifikatoren & physikalische Daten
| CAS No. | 611-24-5 |
|---|
| Summenformel | C7H9NO |
|---|
| Durchschnittliche Molmasse | 123,15 g/mol |
|---|
| Monoisotopische Masse | 123,06841391 g/mol |
|---|
| SMILES | CNc1ccccc1O |
|---|
| InChIKey | JHKKTXXMAQLGJB-UHFFFAOYSA-N |
|---|
| PubChem CID | 69138 |
|---|
| ChEMBL | CHEMBL281223 |
|---|
| EC No. | 210-263-5 |
|---|
| DTXSID | DTXSID60209976 |
|---|
| Lokaler Name | o-(Methylamino)phenol |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|
| Polarare Oberfläche (TPSA) | 32,3 |
|---|
| H-Brücken-Donoren | 2 |
|---|
| H-Brücken-Akzeptoren | 2 |
|---|
| Frei drehbare Bindungen | 1 |
|---|
| Schwere Atome | 9 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 85 |
|---|
| SpringerMaterials Properties | Diamagnetic susceptibility |
|---|
| Schmelzpunkt | 85-88 °C |
|---|
| Siedepunkt | 229.26°C (rough estimate) |
|---|
| Dichte | 1.0877 (rough estimate) |
|---|
| Brechungsindex | 1.5730 (589.3 nm 33℃) |
|---|
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
|---|
| Aggregatzustand | crystals |
|---|
| pKa (Säurekonstante) | 10.62±0.10(Predicted) |
|---|
| BRN | 970951 |
|---|
| InChI | InChI=1S/C7H9NO/c1-8-6-4-2-3-5-7(6)9/h2-5,8-9H,1H3 |
|---|
| InChIKey | JHKKTXXMAQLGJB-UHFFFAOYSA-N |
|---|
| SMILES | C1(O)=CC=CC=C1NC |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
|---|
| Wassergefährdungsklasse (WGK) | 3 |
|---|
| Zollcode | 29222900 |
|---|
| R-Sätze (R) | 22 |
|---|
| Gefahrensymbole | Xn |
|---|
| Lagerklasse | 11 - Combustible Solids |
|---|
| Gefahrenklasse | Acute Tox. 4 Oral |
|---|
