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2,5-Dimethoxyanilin
C2H11NO2 · c.i.35811 · AURORA KA-673 · AKOS BBS-00003545 · TIMTEC-BB SBB007581 · 2,5-dimethoxy-anilin · 2,5-DIMETHOXYANILINE · DIMETHOXYANILINE(2,5-)
Identifikatoren & physikalische Daten
| CAS No. | 102-56-7 |
|---|---|
| Summenformel | C8H11NO2 |
| Durchschnittliche Molmasse | 153,18 g/mol |
| Monoisotopische Masse | 153,07897859 g/mol |
| SMILES | COc1ccc(OC)c(N)c1 |
| InChIKey | NAZDVUBIEPVUKE-UHFFFAOYSA-N |
| PubChem CID | 7613 |
| ChEMBL | CHEMBL1616799 |
| EC No. | 203-040-9 |
| DTXSID | DTXSID4059257 |
| Lokaler Name | 2,5-Dimethoxyanilin |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 44,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 119 |
| Stoffklassen | Nitrogen Compounds -> Amines, Aromatic |
| SpringerMaterials Properties | Density |
| LogP (Verteilungskoeffizient) | 1.2 |
| Dampfdruck | 0.00828 [mmHg]0.19Pa at 20℃ |
| Physical Description | Brown powder[Alfa Aesar MSDS] |
| Schmelzpunkt | 78-80 °C (lit.) |
| Siedepunkt | 140 °C (7 mmHg) |
| Dichte | 1.1577 (rough estimate) |
| Brechungsindex | 1.4770 (estimate) |
| Flammpunkt | 130 °C |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | soluble in Methanol4 g/L (40 ºC) |
| pKa (Säurekonstante) | 4.12±0.10(Predicted) |
| Aggregatzustand | Crystalline Powder or Lumps |
| Farbe | Gray to dark brown |
| BRN | 776823 |
| InChI | 1S/C8H11NO2/c1-10-6-3-4-8(11-2)7(9)5-6/h3-5H,9H2,1-2H3 |
| InChIKey | NAZDVUBIEPVUKE-UHFFFAOYSA-N |
| SMILES | COc1ccc(OC)c(N)c1 |
| LogP (Verteilungskoeffizient) | 1.16 at 23℃ and pH6.5-7.5 |
| CAS Datenbank | 102-56-7(CAS DataBase Reference) |
| EPA chemische Informationen | Benzenamine, 2,5-dimethoxy- (102-56-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (88.5%): Toxic if swallowed [Danger Acute toxicity, oral]P260, P264, P270, P301+P316, P301+P317, P319, P321, P330, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 52 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzenamine, 2,5-dimethoxy-Status: Active Update: 27-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/5256Benzenamine, 2,5-dimethoxy-: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Causes somnolence, methemoglobinemia, liver and kidney changes, and general anesthesia in acute oral studies of mice[RTECS] May cause irritationMay induce methemoglobinemiaToxic by ingestion, inhalation, and skin absorptionProlonged or repeated exposure may cause organ injury[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Acute Tox. 3 (88.5%) |
| Unerwünschte Wirkungen | Neurotoxin - Other CNS neurotoxin |
| F | 8-10-23 |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2811 6.1/PG 3 |
| Zollcode | 29214200 |
| RTECS-Nr. | BX4375000 |
| R-Sätze (R) | 25-36/37/38-20/21/22-23/24/25 |
| Toxizität | bird - wild,LD50,oral,100mg/kg (100mg/kg),Toxicology and Applied Pharmacology. Vol. 21, Pg. 315, 1972. |
| Gefahrensymbole | T,Xi,Xn |
| hazard_note | Toxic/Irritant |
| Sicherheitshinweise (S) | 45-36/37/39-26-22 |
| Gefahrenklasse | 6.1Acute Tox. 4 Oral |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
2,5-Dimethoxyaniline is used as a laccase inducer which immobilizes the enzyme laccase from Trumetes versicolor.