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2-Chloracetanilid
chloroacetanilide · SKL808 · NSC 311 · AKOS B015615 · ART-CHEM-BB B015615 · 2-chloro-acetanilid · Diclofenac Impurity T · Diclofenac Impurity 24
Identifikatoren & physikalische Daten
| CAS No. | 587-65-5 |
|---|---|
| Summenformel | C8H8ClNO |
| Durchschnittliche Molmasse | 169,61 g/mol |
| Monoisotopische Masse | 169,02944156 g/mol |
| SMILES | O=C(CCl)Nc1ccccc1 |
| InChIKey | VONWPEXRCLHKRJ-UHFFFAOYSA-N |
| PubChem CID | 11485 |
| ChEMBL | CHEMBL2164307 |
| EC No. | 209-604-0 |
| DTXSID | DTXSID3041409 |
| Lokaler Name | 2-Chloracetanilid |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 132 |
| Stoffklassen | Nitrogen Compounds -> Other Aromatics (Nitrogen) |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| LogP (Verteilungskoeffizient) | Log P= 1.63 |
| Color/Form | Very light beige, crystalline powder |
| Löslichkeit | Practically insolubleChloroform (Slightly), Methanol (Slightly) |
| Schmelzpunkt | 86-88 °C136-139 °C (lit.) |
| Dampfdruck | 0.0000433 [mmHg] |
| Physical Description | Light beige solid[HSDB] |
| Siedepunkt | 340.0±25.0 °C(Predicted) |
| Dichte | 1.266±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 12.90±0.70(Predicted) |
| Farbe | Off-White to Pale Beige |
| InChI | InChI=1S/C8H8ClNO/c9-6-8(11)10-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11) |
| InChIKey | VONWPEXRCLHKRJ-UHFFFAOYSA-N |
| SMILES | C(NC1=CC=CC=C1)(=O)CCl |
| CAS Datenbank | 587-65-5(CAS DataBase Reference) |
| EPA chemische Informationen | 2-Chloroacetanilide (587-65-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (95.1%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Gefahrenübersicht | An irritantMay induce methemoglobinemia[Aldrich MSDS] |
| Hazard Classes and Categories | Skin Irrit. 2 (95.1%) |
| Entsorgungsverfahren | SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices. |
| Unerwünschte Wirkungen | Methemoglobinemia - The presence of increased methemoglobin in the bloodthe compound is classified as secondary toxic effect |
| Non-Human Toxicity Excerpts | 2-CHLORO-N-PHENYLACETAMIDE SHOWED RELATIVELY WEAK CHOLINE ACETYLTRANSFERASE INHIBITION ACTIVITY.The effects of 2-chloroacetanilide (2-CAA), 3-chloroacetanilide (3-CAA) and 4-chloroacetanilide (4-CAA) on liver and kidney function and morphology were examined in rats. Male Fischer 344 rats were given a single ip injection of a chloroacetanilide at 0.5, 1.0 or 1.5 millimole/kg. Renal function was monitored for 24 or 48 hr following dosing. At 24 or 48 hr, liver function and tissue morphology were determined. At the two lower dose levels,all three chloroacetanilide isomers decr food and water intake on day 1 after treatment. Food intake remained depressed in 2-CAA and 3-CAA treated animals on the second day, but water intake was normal. Urinary protein excretion on day 1 was incr only in rats treated with 4-CAA. Blood urea nitrogen concn was not incr in any group at 48 hr while kidney weight was incr only in the 3-CAA treated group. Hepatic weight was incr at 48 hr in rats treated with 3-CAA and 4-CAA. Plasma alanine aminotransferase activity was incr at 48 hr only in the 4-CAA group. In additional studies, renal cortical slices from untreated rats were incubated with a chloroacetanilide or vehicle and the effect on organic ion accumulation was determined. Chloroacetanilides were shown to directly alter renal function in an isomer specific manner. |
Anwendungen & Verwendung
Verwenden
2-Chloro-N-phenylacetamide is used as a reagent in the synthesis of indolylmethylene benzo[h]thiazolo[2,3-b]quinazolinones which exhibit anticancer and antimicrobial activities in vitro.