HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2'-Methylacetanilid
2-Methylacetaniline · 2'-methylacetanilide · Acet-o-toluidide · N-ACETYL-O-TOLUIDINE · O-ACETOTOLUIDE · O-TOLYLACETAMIDE · O-ACETOTOLUIDIDE · O-ACETOTOLUIDINE
Identifikatoren & physikalische Daten
| CAS No. | 120-66-1 |
|---|---|
| Summenformel | C9H11NO |
| Durchschnittliche Molmasse | 149,19 g/mol |
| Monoisotopische Masse | 149,08406397 g/mol |
| SMILES | CC(=O)Nc1ccccc1C |
| InChIKey | BPEXTIMJLDWDTL-UHFFFAOYSA-N |
| PubChem CID | 8443 |
| ChEMBL | CHEMBL1568309 |
| ChEBI | CHEBI:189137 |
| EC No. | 204-414-4 |
| DTXSID | DTXSID1024413 |
| Lokaler Name | 2'-Methylacetanilid |
Chemische & physikalische Eigenschaften
| XLogP | 0,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 144 |
| Stoffklassen | Nitrogen Compounds -> Other Aromatics (Nitrogen)Dye |
| SpringerMaterials Properties | Boiling point |
| Dichte | 1.168 (NTP, 1992) - Denser than waterwill sink1.168 @ 15 °C |
| Color/Form | CRYSTALSCOLORLESS |
| Löslichkeit | Insoluble (NTP, 1992)SLIGHTLY SOL IN WATERSOL IN ALC, CHLOROFORM, ETHERSOL IN BENZENE, GLACIAL ACETIC ACIDINSOL IN HOT WATERIt is slightly soluble in acetone, chloroform, toluene, benzene. |
| Siedepunkt | 565 °F at 760 mmHg (NTP, 1992)296 °C |
| Schmelzpunkt | 230 °F (NTP, 1992)110 °C109-112 °C |
| Dampfdruck | 0.000183 [mmHg] |
| Physical Description | O-acetotoluidide appears as colorless crystals. Insoluble in water. (NTP, 1992)Colorless solid[HSDB] Colorless crystalline powder[Alfa Aesar MSDS] |
| Other Experimental Properties | UV: 831 (Sadtler Research Laboratories Spectral Collection) /3-Methylacetanilide/UV: 2664 (Absorption Spectra in the UV and visible Regions, Academic Press, New York) /4-Methylacetanilide/ |
| Brechungsindex | 1.5279 (estimate) |
| Flammpunkt | 296°C |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 15.13±0.70(Predicted) |
| Farbe | Needles |
| Merck | 14,74 |
| BRN | 2207054 |
| InChI | InChI=1S/C9H11NO/c1-7-5-3-4-6-9(7)10-8(2)11/h3-6H,1-2H3,(H,10,11) |
| InChIKey | BPEXTIMJLDWDTL-UHFFFAOYSA-N |
| SMILES | C(NC1=CC=CC=C1C)(=O)C |
| CAS Datenbank | 120-66-1(CAS DataBase Reference) |
| EPA chemische Informationen | o-Acetotoluidide (120-66-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): 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 543 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Acetamide, N-(2-methylphenyl)- |
| Gesundheitsgefahren | ACUTE/CHRONIC HAZARDS: Toxic. Hazardous decomposition products. (NTP, 1992) |
| Gefahrenübersicht | Enlarged livers with severe hydropic swelling and fatty changes observed in rats at high doses (44-fold excess molar dose)[HSDB] A skin and strong eye irritant[Alfa Aesar MSDS] |
| Reaktive Gruppe | Amides and Imides |
| Reactivity Profile | O-ACETOTOLUIDIDE is an amide. Amides react with azo and diazo compounds to generate toxic gases. Flammable gases are formed by the reaction of organic amides with strong reducing agents. Amides are very weak bases (weaker than water). Imides are less basic yet and in fact react with strong bases to form salts. That is, they can react as acids. Mixing amides with dehydrating agents such as P2O5 or SOCl2 generates the corresponding nitrile. The combustion of these compounds generates mixed oxides of nitrogen (NOx). |
| Air and Water Reactions | Water insoluble. |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| 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, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol followed by washing with a strong 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. |
| Wechselwirkungen | O-ACETOTOLUIDIDE WAS, AMONG ISOMERS, THAT PREVENTED DEATH OF RATS DUE TO TOXICITY OF 300 PPM OF N-2-FLUORENYLACETAMIDE. |
| Unerwünschte Wirkungen | Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation. |
| Non-Human Toxicity Excerpts | A 44-FOLD MOLAR EXCESS DOSE OF O-ACETOTOLUIDIDE PRODUCED IN RATS ENLARGED LIVERS WITH MARKED HYDROPIC SWELLING & FATTY CHANGES. |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29242990 |
| RTECS-Nr. | AN2900000 |
| R-Sätze (R) | 36/37/38-22 |
| Toxizität | mma-sat 1 mg/plate NTPTB* JAN 82 |
| Gefahrensymbole | Xn |
| hazard_note | Harmful |
| Sicherheitshinweise (S) | 37/39-26-36-36/37 |
| Gefahrstoffdaten | 120-66-1(Hazardous Substances Data) |
Anwendungen & Verwendung
Verwenden
o-Methylacetanilide is a substituted acetanilide that is used as precursor for various pharmaceuticals including their intermediates.