2-Phenylacetamid

Benzeneacetamide

HCID 7680CAS 103-81-1

Grundinformationen

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 Struktureigenschaften

XLogP
0,5
Polarare Oberfläche (TPSA)
43,1 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
2
Schwere Atome
10

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)
SpringerMaterials PropertiesBoiling point
Vapor Pressure0.000344 [mmHg]
Physical Description · 2 Einträge

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.

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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

Chemie und Industrie

Verwendung und Herstellung

UsesUsed to make penicillin G; [Merck Index]
General Manufacturing InformationBenzeneacetamide: INACTIVE
Anwendungen · 2 Einträge

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 · 1 Eintrag

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.

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hong Kong Tiansheng New Material Trading Co., Ltd+8617320695765 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: 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 derives from a phenylacetic acid.

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