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Formanilid
N-PHENYLFORMAMIDE · PHENYLFORMAMIDE · formylaniline · Formamide, N-phenyl- · Anilinoformaldehyde · NSC 8862 · NSC 203239 · Formamilide
Identifikatoren & physikalische Daten
| CAS No. | 103-70-8 |
|---|---|
| Summenformel | C7H7NO |
| Durchschnittliche Molmasse | 121,14 g/mol |
| Monoisotopische Masse | 121,05276384 g/mol |
| SMILES | O=CNc1ccccc1 |
| InChIKey | DYDNPESBYVVLBO-UHFFFAOYSA-N |
| PubChem CID | 7671 |
| ChEMBL | CHEMBL1232659 |
| ChEBI | CHEBI:42416 |
| EC No. | 203-136-0 |
| DTXSID | DTXSID3025338 |
| Lokaler Name | Formanilid |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 86,9 |
| Stoffklassen | Nitrogen Compounds -> Other Aromatics (Nitrogen) |
| SpringerMaterials Properties | 15N nuclear magnetic resonance spectrum |
| LogP (Verteilungskoeffizient) | log Kow= 1.151.2 |
| Dichte | 1.144 at 68 °F (NTP, 1992) - Denser than waterwill sink1.186 @ 50 °C1.144 g/mL at 25 °C(lit.) |
| Viscosity | 1.65 mN/s/m @ 20 °C |
| Color/Form | White crystals |
| Löslichkeit | 10 to 50 mg/mL at 77 °F (NTP, 1992)> 10% in benzene> 10% in ether> 10% ethanolIn water, 28.6 g/l @ 25 °C25.4 g/l @ 20 °Cwater: soluble25.4g/L at 20°Cwater: soluble 25.4g/L at20°Cwater: soluble 28.6g/L at25°C |
| Flammpunkt | greater than 235 °F (NTP, 1992)>230 °F |
| Siedepunkt | 520 °F at 760 mmHg (NTP, 1992)271 °C166 °C14 mm Hg(lit.) |
| Decomposition | When heated to decomposition it emits toxic fumes of /nitrogen oxides/. |
| Schmelzpunkt | 115.9 to 117.5 °F (NTP, 1992)46.6-47.5 °C46-48 °C(lit.) |
| Dampfdruck | 0.00357 [mmHg]3.57X10-3 mm Hg @ 25 °C |
| Brechungsindex | 1.5908 (estimate) |
| Lagerbedingungen | Sealed in dry,2-8°C |
| Aggregatzustand | Crystals |
| pKa (Säurekonstante) | 15.00±0.70(Predicted) |
| Wichte | 1.144 |
| Farbe | White to pale grayish-beige |
| Merck | 14,4238 |
| BRN | 906934 |
| Henry-Konstante | 1.2×103 mol/(m3Pa) at 25℃, HSDB (2015) |
| Stabilität | Stable. Combustible. Incompatible with strong oxidizing agents. |
| InChI | 1S/C7H7NO/c9-6-8-7-4-2-1-3-5-7/h1-6H,(H,8,9) |
| InChIKey | DYDNPESBYVVLBO-UHFFFAOYSA-N |
| SMILES | O=CNc1ccccc1 |
| CAS Datenbank | 103-70-8(CAS DataBase Reference) |
| EPA chemische Informationen | Formanilide (103-70-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 37.5% (3 of 8) of reports.WarningH302 (62.5%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 8 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| Brandgefahren | This chemical is probably combustible. (NTP, 1992) |
| Gesundheitsgefahren | SYMPTOMS: Exposure to this chemical may cause cyanosis, headache, dizziness, confusion, decreased blood pressure, convulsions and coma. (NTP, 1992) |
| Gefahrenübersicht | Emergency treatment: Symptomatic drug ingestion[HSDB] Causes somnolence, muscle weakness, and respiratory stimulation in intravenous lethal-dose studies of dogs[RTECS] May cause irritation[Alfa Aesar MSDS] See N-Methylformamide. |
| Reaktive Gruppe | Amides and Imides |
| Reactivity Profile | FORMANILIDE is an amide. Amides/imides react with azo and diazo compounds to generate toxic gases. Flammable gases are formed by the reaction of organic amides/imides 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 | This chemical may be sensitive to prolonged exposure to air. (NTP, 1992). Soluble in water. |
| Toxic Combustion Products | When heated to decomposition it emits toxic fumes of /nitrogen oxides/. |
| Hazard Classes and Categories | Acute Tox. 4 (62.5%) |
| Brandbekämpfung | Fires involving this chemical can be controlled with a dry chemical, carbon dioxide, foam or Halon extinguisher. (NTP, 1992) |
| Erste Hilfe |
Anwendungen & Verwendung
Verwenden
Formanilide was used to study the zero electron kinetic energy(ZEKE) spectra of cis- and trans-formanilide. It was used to investigate the gas-phase structures of the two isomers of the trans-formanilide-water complex by two-colour (1+1′) resonance enhanced multiphoton ionisation (REMPI) and ZEKE spectroscopy.