2-Chlor-N-(1-methylethyl)acetamid

2-chloro-N-(1-methylethyl)acetamide

HCID 76171CAS 2895-21-8

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Grundinformationen

Standard-SMILES: CC(C)NC(=O)CCl
InChIKey: GYPNJSBBOATUPK-UHFFFAOYSA-N
Summenformel: C5H10ClNO
Durchschnittliche Molmasse: 135,59 g/mol
Monoisotopische Masse: 135,04509162

Namen und Bezeichner

Bevorzugter Name: 2-chloro-N-(1-methylethyl)acetamide
IUPAC: 2-chloro-N-propan-2-ylacetamide
Lokaler Name: 2-Chlor-N-(1-methylethyl)acetamid
Englischer Name: N-Isopropyl-2-chloroacetamide
Summenformel: C5H10ClNO
Molmasse: 135.59

Namen und Synonyme

2895-21-82-Chloro-N-(1-methylethyl)acetamideAcetamide, 2-chloro-N-(1-methylethyl)-EINECS 220-775-0AI3-23574DTXSID00183145NSC 165658RefChem:469946DTXCID10105636220-775-02-Chloro-N-isopropylacetamideN-Isopropyl-2-Chloroacetamide

Weitere Namen anzeigen

AKOS USSH-4110464BUTTPARK 80\07-100OTAVA-BB BB7020410060N1-ISOPROPYL-2-CHLOROACETAMIDEN-Isopropylchloroacetamide,97%2-chloro-N-propan-2-yl-ethanamide

2-chloro-N-propan-2-ylacetamideMFCD000680342-chloro-N-(propan-2-yl)acetamideN-Isopropyl chloroacetamideN-(Chloroacetyl)isopropylamineNSC-1656582-chloro-N-(methylethyl)acetamiden-isopropylchloroacetamide

Datenbank-Bezeichner

CAS: 2895-21-8
PubChem CID: 76171
DTXSID: DTXSID00183145
ChEMBL: CHEMBL5412385
UNII: 3R96AG5N5W
EC Number: 220-775-0
Nikkaji: J306.819F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
Polarare Oberfläche (TPSA): 29,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 8
Formalladung: 0
Komplexität: 82,5

Physikochemische Eigenschaften

Schmelzpunkt: 58 · 58-60°C
Siedepunkt: 250.6 · 250.6±23.0 °C(Predicted)
Dichte: 1.052 · 1.052±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Löslichkeit: Acetone, Chloroform, Dichloromethane, DMSO, Ethyl Acetate, Methanol
pka: 14.08 · 14.08±0.46(Predicted)
Aggregatzustand: Solid
Farbe: Dark Brown
BRN: 1745034 · 1745034
InChI: InChI=1S/C5H10ClNO/c1-4(2)7-5(8)3-6/h4H,3H2,1-2H3,(H,7,8)
InChIKey: GYPNJSBBOATUPK-UHFFFAOYSA-N
SMILES: C(NC(C)C)(=O)CCl
CAS Datenbank: 2895 · 2895-21-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): 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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

hs_code: 2924190090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39
hazard_class: IRRITANT

Chemie und Industrie

Anwendungen

Verwenden2-Chloro-N-isopropylacetamide is an intermediate in synthesizing Prothoate (P838810), which can be used as analyte in analytical study of a new method of detecting multi-residue of organophosphorus pesticide.