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3-Aminoacetanilid
META AMINO ACETANILIDE · N-(3-AMINOPHENYL)ACETAMIDE · 3-AMINOACETANILIDE · M-AMINOACETANILIDE · 3'-Aminoacetanilide · FR-2203 · AKOS BB-8162 · WLN: ZR CMV1
Identifikatoren & physikalische Daten
| CAS No. | 102-28-3 |
|---|---|
| Summenformel | C8H10N2O |
| Durchschnittliche Molmasse | 150,18 g/mol |
| Monoisotopische Masse | 150,07931294 g/mol |
| SMILES | CC(=O)Nc1cccc(N)c1 |
| InChIKey | PEMGGJDINLGTON-UHFFFAOYSA-N |
| PubChem CID | 7604 |
| ChEMBL | CHEMBL1606123 |
| EC No. | 203-021-5 |
| DTXSID | DTXSID2024454 |
| Lokaler Name | 3-Aminoacetanilid |
Chemische & physikalische Eigenschaften
| XLogP | 0,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 55,1 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 147 |
| Stoffklassen | Nitrogen Compounds -> Other Aromatics (Nitrogen) |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Löslichkeit | 10 to 50 mg/mL at 75 °F (NTP, 1992)1-5 g/100 mL at 24 ºC |
| Siedepunkt | Decomposes at 1449 °F (NTP, 1992)271.72°C (rough estimate) |
| Schmelzpunkt | 187.7 to 189.5 °F (NTP, 1992)86-88 °C(lit.) |
| Physical Description | M-aminoacetanilide is a gray solid. (NTP, 1992)[CAMEO] Light brown crystalline powder[Acros Organics MSDS] |
| Dichte | 1.1392 (rough estimate) |
| Brechungsindex | 1.6180 (estimate) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 14.82±0.70(Predicted) |
| Farbe | White to Gray to Brown |
| InChI | InChI=1S/C8H10N2O/c1-6(11)10-8-4-2-3-7(9)5-8/h2-5H,9H2,1H3,(H,10,11) |
| InChIKey | PEMGGJDINLGTON-UHFFFAOYSA-N |
| SMILES | C(NC1=CC=CC(N)=C1)(=O)C |
| CAS Datenbank | 102-28-3(CAS DataBase Reference) |
| EPA chemische Informationen | 3'-Aminoacetanilide (102-28-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (21.1%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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 | Status: Active Update: 30-05-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/17428 |
| Brandgefahren | Flash point data concerning this compound are not available, however, it is probably combustible. (NTP, 1992) |
| Gesundheitsgefahren | ACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits toxic fumes. (NTP, 1992) |
| Gefahrenübersicht | A mild eye irritant[RTECS] An irritant[Acros Organics MSDS] See Acetanilide. |
| Reaktive Gruppe | Amides and Imides |
| Reactivity Profile | Aromatic 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 | Soluble in water. |
| Hazard Classes and Categories | Acute Tox. 4 (21.1%) |
| Brandbekämpfung | Fires involving this compound can be controlled using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992) |
| 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: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces 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. |
| 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) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29214200 |
| RTECS-Nr. | AD8050000 |
| R-Sätze (R) | 36/37/38 |
| Toxizität | mouse,LD50,intravenous,320mg/kg (320mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02899, |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
3'-Aminoacetanilide is mainly used as reaction intermediates dyes and disperse dyes.