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3,4-Dimethoxyanilin
3,4-DIMETHOXYANILINE · 25kg · 100G/500G/25KG · 4-AMINOVERATROL · 4-AMINOVERATROLE · 3,4-DimethoxyaniL · TIMTEC-BB SBB004043 · 13,4-MethoxyAniline
Identifikatoren & physikalische Daten
| CAS No. | 6315-89-5 |
|---|---|
| Summenformel | C8H11NO2 |
| Durchschnittliche Molmasse | 153,18 g/mol |
| Monoisotopische Masse | 153,07897859 g/mol |
| SMILES | COc1ccc(N)cc1OC |
| InChIKey | LGDHZCLREKIGKJ-UHFFFAOYSA-N |
| PubChem CID | 22770 |
| EC No. | 228-647-6 |
| DTXSID | DTXSID8064226 |
| Lokaler Name | 3,4-Dimethoxyanilin |
Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
|---|---|
| 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 |
| Löslichkeit | 1 to 10 mg/mL at 64 °F (NTP, 1992)Chloroform (Sparingly), Methanol (Slightly)insoluble |
| Schmelzpunkt | 189 to 190 °F (NTP, 1992)85-89 °C (lit.) |
| Physical Description | 3,4-dimethoxyaniline is a brown powder. (NTP, 1992)Brown solid[CAMEO] Brown crystalline solid[Alfa Aesar MSDS] |
| Siedepunkt | 174-176 °C/22 mmHg (lit.) |
| Dichte | 1.1577 (rough estimate) |
| Brechungsindex | 1.4640 (estimate) |
| Flammpunkt | 174-176°C/22mm |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| pKa (Säurekonstante) | 4.78±0.10(Predicted) |
| Aggregatzustand | Crystalline Powder |
| Farbe | Brown |
| BRN | 743399 |
| InChI | 1S/C8H11NO2/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5H,9H2,1-2H3 |
| InChIKey | LGDHZCLREKIGKJ-UHFFFAOYSA-N |
| SMILES | COc1ccc(N)cc1OC |
| CAS Datenbank | 6315-89-5(CAS DataBase Reference) |
| NIST chemische Informationen | Benzenamine, 3,4-dimethoxy-(6315-89-5) |
| EPA chemische Informationen | 3,4-Dimethoxyaniline (6315-89-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 57 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzenamine, 3,4-dimethoxy- |
| DOT-Kennzeichnung | Poison |
| Brandgefahren | Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]: |
| Gesundheitsgefahren | ACUTE/CHRONIC HAZARDS: This compound is a local irritant. (NTP, 1992) |
| Gefahrenübersicht | An irritant[NTP] May cause irritationMay induce methemoglobinemiaHarmful by ingestion and inhalationToxic by skin absorptionProlonged or repeated exposure may cause organ injury[Alfa Aesar MSDS] See 2,4-Dimethoxyanilineand 2,5-Dimethoxyaniline. |
| Reaktive Gruppe | Amines, Aromatic |
| Reactivity Profile | 3,4-DIMETHOXYANILINE is sensitive to prolonged exposure to light. (NTP, 1992). Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides |
| Air and Water Reactions | Slightly soluble in water. |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Brandbekämpfung | Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]: |
| Erste Hilfe | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. |
| Freisetung ohne Brand | SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. |
| Isolation and Evacuation | Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]: |
| Personal Protective Equipment (PPE) | RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992) |
| Unerwünschte Wirkungen | Methemoglobinemia - The presence of increased methemoglobin in the bloodthe compound is classified as secondary toxic effect |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 2811 |
| Zollcode | 29222900 |
| RTECS-Nr. | BX4550000 |
| R-Sätze (R) | 22-36/37/38-20/21/22 |
| Gefahrensymbole | Xn,T,Xi |
| hazard_note | Toxic/Irritant |
| Sicherheitshinweise (S) | 22-24/25-36/37/39-26-36 |
| Gefahrenklasse | 6.1(b)Acute Tox. 4 DermalAcute Tox. 4 Oral |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
3,4-Dimethoxyaniline is commonly used as fine chemicals, used for pharmaceutical intermediates.