2-Chloro-N-phenethyl-acetamide

HCID 94921CAS 13156-95-1

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Grundinformationen

Standard-SMILES: O=C(CCl)NCCc1ccccc1
InChIKey: LNWWGHNQLOXRTF-UHFFFAOYSA-N
Summenformel: C10H12ClNO
Durchschnittliche Molmasse: 197,66 g/mol
Monoisotopische Masse: 197,0607417

Namen und Bezeichner

Bevorzugter Name: 2-Chloro-N-phenethyl-acetamide
IUPAC: 2-chloro-N-(2-phenylethyl)acetamide
Englischer Name: 2-CHLORO-N-PHENETHYLACETAMIDE
Summenformel: C10H12ClNO
Molmasse: 197.66

Namen und Synonyme

2-Chloro-N-phenethyl-acetamideRefChem:470342695-978-42-Chloro-N-phenethylacetamide13156-95-12-Chloro-N-(2-phenylethyl)acetamideAcetamide, 2-chloro-N-phenethyl-MFCD00245084Acetamide, 2-chloro-N-(2-phenylethyl)-NSC-8377NSC 8377BRN 2102348

Weitere Namen anzeigen

SKL825AKOS B028817BUTTPARK 80\07-97AKOS BBS-00000816Praziquantel Impurity 162-chloro-n-phenethyl-acetamid

N-(2-PHENYLETHYL)CHLOROACETAMIDEN-phenethyl-2-chloroacetamideAI3-23562NSC8377Acetamide,2-chloro-N-(2-phenylethyl)-N-PhenethylchloroacetamideAG9HA2QS9JSCHEMBL696928

Datenbank-Bezeichner

CAS: 13156-95-1
PubChem CID: 94921
DTXSID: DTXSID10157110
ChEMBL: CHEMBL3244840
UNII: AG9HA2QS9J
EC Number: 695-978-4
Nikkaji: J810.666E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,1
Polarare Oberfläche (TPSA): 29,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 4
Schwere Atome: 13
Formalladung: 0
Komplexität: 155

Physikochemische Eigenschaften

Schmelzpunkt: 67 · 67-70°C
Siedepunkt: 186 · 186-189 °C(Press: 14 Torr)
Dichte: 1.145 · 1.145±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Aggregatzustand: Solid
pka: 13.94 · 13.94±0.46(Predicted)
CAS Datenbank: 13156 · 13156-95-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (50%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (50%)；Eye Irrit. 2 (50%)；STOT SE 3 (100%)

Sicherheitsdaten

hs_code: 2909199090
hazard_code: Xi
hazard_class: IRRITANT

Chemie und Industrie

Anwendungen

Verwenden2-Chloro-N-phenethylacetamide is used as a reagent in the synthesis of praziquantel by tandem amidoalkylation and N-acyliminium ion cyclization.