2-Phenylacetamid
Benzeneacetamide
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Grundinformationen
- CAS
103-81-1- Standard-SMILES
NC(=O)Cc1ccccc1- InChIKey
LSBDFXRDZJMBSC-UHFFFAOYSA-N- Summenformel
- C8H9NO
- Durchschnittliche Molmasse
- 135,16 g/mol
- Monoisotopische Masse
- 135,06841391
Überblick
2-phenylacetamide is a monocarboxylic acid amide that is acetamide substituted by a phenyl group at position 2. It has a role as a mouse metabolite. It is functionally related to a phenylacetic acid.
Namen und Bezeichner
- Bevorzugter Name
- Benzeneacetamide
- IUPAC
- 2-phenylacetamide
- Lokaler Name
- 2-Phenylacetamid
- Englischer Name
- 2-Phenylacetamide
- Summenformel
- C8H9NO
- Molmasse
- 135.16
Namen und Synonyme
2-PHENYLACETAMIDE103-81-1PhenylacetamideBenzeneacetamidealpha-Toluamidealpha-PhenylacetamidePhenylacetic acid amideAcetamide, 2-phenyl-Phenyl-beta-acetylaminealpha-Toluimidic acid5R219M9TJFCHEBI:16562
Weitere Namen anzeigen
-Toluamideα-ToluamidePhenacetamide2-PheylacetamidePHENYLETHANAMIDE
NSC-1877DTXSID1059282RefChem:555921DTXCID1032771203-147-02-phenyl-AcetamideMFCD00059193.alpha.-Toluamide
Datenbank-Bezeichner
- CAS
103-81-1- PubChem CID
- 7680
- DTXSID
DTXSID1059282- ChEMBL
CHEMBL347645- ChEBI
CHEBI:16562- UNII
- 5R219M9TJF
- EC Number
- 203-147-0
- Nikkaji
- J55.331J
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 0,5
- Polarare Oberfläche (TPSA)
- 43,1 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 116
Experimentelle und physikochemische Eigenschaften
Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)
SpringerMaterials PropertiesBoiling point
Vapor Pressure0.000344 [mmHg]
Physical Description
Solid; [Merck Index]
Solid
Physikochemische Eigenschaften
- Schmelzpunkt
- 156 °C · 156 °C
- Siedepunkt
- 280 · 280-290 °C (dec.)
- Dichte
- 1.1031 · 1.1031 (rough estimate)
- Brechungsindex
- 1.5589 · 1.5589 (estimate)
- storage temp.
- Refrigerator
- Löslichkeit
- Soluble in methanol.
- pka
- 16.21 · 16.21±0.40(Predicted)
- Aggregatzustand
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazards SummaryAn eye irritant; A possible sensitizer; Harmful by ingestion; [Aldrich MSDS] See 2-Chloro-N-phenylacetamide.
Hazard Classes and CategoriesAcute Tox. 4 (97.7%)
Sicherheitsdaten
- tsca
- TSCA listed
- hs_code
- 29242990
- RTECS-Nr.
- AC7705000
- risk_code
- 22-36
- Toxizität
- LD50 ipr-mus: 430 mg/kg PCJOAU 10,579,76
- hazard_code
- Xi
- safety_code
- 22-24/25-60-36-26
- hazard_class
- IRRITANT
Chemie und Industrie
Verwendung und Herstellung
UsesUsed to make penicillin G; [Merck Index]
General Manufacturing InformationBenzeneacetamide: INACTIVE
Anwendungen
VerwendenIn agriculture, 2-Phenylacetamid can be used in the production of many important intermediates of pesticides, such as carbamine. In the field of dyes: it can react with some monomers with color to produce some important raw materials for blue and purple dyes. In the field of fragrances, it can be used as an important raw material for the synthesis of certain spices and flavors. 2-Phenylacetamide can also be used in the synthesis of organometallic, organic peroxide, organic peroxide ester, and other compounds, and can be used as a crosslinking agent for polymers, a film forming agent for coatings, a plasticizer for plastics, etc.
Verwenden2-Phenylacetamide is used as a pharmaceutical intermediate in the production of penicillin G and phenobarbital, etc. It is also used in organic synthesis.
Darstellung
synthetischeSynthesis of 2-phenylacetamide: Add concentrated hydrochloric acid to phenylacetonitrile, stir to dissolve, and react at 50°C for half an hour. Then slowly add water under cooling to separate out crystals, filter after cooling, wash with ice water to obtain crude product. The crude product was washed with sodium carbonate solution, then washed with ice water, and dried to obtain purer phenylacetamide.
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