2-Chloro-N-methoxy-N-methylacetamide

HCID 2734716

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Grundinformationen

CAS: 67442-07-3
Standard-SMILES: CON(C)C(=O)CCl
InChIKey: SCOJKGRNQDKFRP-UHFFFAOYSA-N
Summenformel: C4H8ClNO2
Durchschnittliche Molmasse: 137,56 g/mol
Monoisotopische Masse: 137,02435618

Namen und Bezeichner

Bevorzugter Name: 2-Chloro-N-methoxy-N-methylacetamide
IUPAC: 2-chloro-N-methoxy-N-methylacetamide
Englischer Name: 2-Chloro-N-methoxy-N-methylacetamide
Summenformel: C4H8ClNO2
Molmasse: 137.56

Namen und Synonyme

2-Chloro-N-methoxy-N-methylacetamideN-Methyl-N-methoxy-2-chloroacetamide2-Chloro-N-methoxy-N-methyl acetamide2V3FHW6LWFN-methoxy-N-methylchloroacetamideAcetamide, 2-chloro-N-methoxy-N-methyl-DTXSID90370461.ALPHA.-CHLORO-N-METHOXY-N-METHYLACETAMIDERefChem:86428DTXCID70321496ALPHA-CHLORO-N-METHOXY-N-METHYLACETAMIDE629-377-5

Weitere Namen anzeigen

100823EOS-608142-Chloro-N-methylacetohydroxamateN-(Chloroacetyl)-N-methoxymethylamine2-Chloro-N-methoxy-N-methylacetamide,97%2-Chloro-N-methoxy-N-methylacetamide 98%Methyl 2-Chloro-N-methylacetohydroxamate

67442-07-3MFCD001342322-chloro-N-methoxy-N-methyl-acetamideUNII-2V3FHW6LWFEC 629-377-5STR09629a-Chloro-N-methoxy-N-methylacetamideAKOS005207299

Datenbank-Bezeichner

CAS: 67442-07-3
PubChem CID: 2734716
DTXSID: DTXSID90370461
UNII: 2V3FHW6LWF
EC Number: 629-377-5
Nikkaji: J718.116G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,4
Polarare Oberfläche (TPSA): 29,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 8
Formalladung: 0
Komplexität: 86,1

Physikochemische Eigenschaften

Schmelzpunkt: 39 · 39-41 °C(lit.)
Siedepunkt: 94 · 94-95 °C
Dichte: 1.178 · 1.178±0.06 g/cm3 (20 ºC 760 Torr)
Flammpunkt: 220 °F · 220 °F
storage temp.: 2 · 2-8°C
Aggregatzustand: Crystals
Farbe: White to light yellow
Wasserlöslichkeit: Insoluble in water.
BRN: 1924015 · 1924015
InChI: InChI=1S/C4H8ClNO2/c1-6(8-2)4(7)3-5/h3H2,1-2H3
InChIKey: SCOJKGRNQDKFRP-UHFFFAOYSA-N
SMILES: C(N(OC)C)(=O)CCl
CAS Datenbank: 67442 · 67442-07-3(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (87.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+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 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationStatus: Cease Manufacture Update: 18-03-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/12433

Hazard Classes and CategoriesAcute Tox. 4 (87.5%)

Sicherheitsdaten

wgk: 3
hs_code: 29241900
risk_code: 20/21/22
hazard_code: Xn
safety_code: 23-26-27-28-37/39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2-Chloro-N-methoxy-N-methylacetamide is used in the preparation of 2-heptyl-3-hydroxy-4(1H)-quinolone (Pseudomonas quinolone signal or PQS) and structurally related 2-alkyl-4-quinolones having biological activity, 2-(benzo[d]thiazol-2-ylsulfonyl)-N-methoxy-N-methylacetamide and α-chloro-ketone, starting reagent for the one-pot synthesis of 2-heptyl-3-hydroxyl-4(1H)-quinolone (PQS), signaling molecule in the quorum sensing of Pseudomonas aeruginosa.