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

2-CHLORO-N-ISOPROPYLACETAMIDE · AKOS USSH-4110464 · BUTTPARK 80\07-100 · OTAVA-BB BB7020410060 · N-ISOPROPYL CHLOROACETAMIDE · N-Isopropyl-2-chloroacetamide · N-(Chloroacetyl)isopropylamine · N1-ISOPROPYL-2-CHLOROACETAMIDE

https://huagongshe.com/de/chemical/76171

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

Identifikatoren & physikalische Daten

CAS No.	2895-21-8
Summenformel	C5H10ClNO
Durchschnittliche Molmasse	135,59 g/mol
Monoisotopische Masse	135,04509162 g/mol
SMILES	CC(C)NC(=O)CCl
InChIKey	GYPNJSBBOATUPK-UHFFFAOYSA-N
PubChem CID	76171
ChEMBL	CHEMBL5412385
EC No.	220-775-0
DTXSID	DTXSID00183145
Lokaler Name	2-Chlor-N-(1-methylethyl)acetamid

Chemische & physikalische Eigenschaften

XLogP	1
Polarare Oberfläche (TPSA)	29,1
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	2
Schwere Atome	8
Formalladung	0
Komplexität	82,5
Schmelzpunkt	58-60°C
Siedepunkt	250.6±23.0 °C(Predicted)
Dichte	1.052±0.06 g/cm3(Predicted)
Lagerbedingungen	under inert gas (nitrogen or Argon) at 2-8°C
Löslichkeit	Acetone, Chloroform, Dichloromethane, DMSO, Ethyl Acetate, Methanol
pKa (Säurekonstante)	14.08±0.46(Predicted)
Aggregatzustand	Solid
Farbe	Dark Brown
BRN	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	2895-21-8(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH315 (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.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
Zollcode	2924190090
R-Sätze (R)	36/37/38
Gefahrensymbole	Xi
Sicherheitshinweise (S)	26-36/37/39
Gefahrenklasse	IRRITANT

Anwendungen & Verwendung

Verwenden

2-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.