2-Chlor-N,N-diethylacetamid

Chloro-N,N-diethylacetamide

HCID 16844CAS 2315-36-8

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Grundinformationen

Standard-SMILES: CCN(CC)C(=O)CCl
InChIKey: CQQUWTMMFMJEFE-UHFFFAOYSA-N
Summenformel: C6H12ClNO
Durchschnittliche Molmasse: 149,62 g/mol
Monoisotopische Masse: 149,06074168

Namen und Bezeichner

Bevorzugter Name: Chloro-N,N-diethylacetamide
IUPAC: 2-chloro-N,N-diethylacetamide
Lokaler Name: 2-Chlor-N,N-diethylacetamid
Englischer Name: 2-Chloro-N,N-diethylacetamide
Summenformel: C6H12ClNO
Molmasse: 149.62

Namen und Synonyme

2-Chloro-N,N-diethylacetamide2315-36-8N,N-DiethylchloroacetamideAcetamide, 2-chloro-N,N-diethyl-N,N-Diethyl-2-chloroacetamidealpha-Chloro-N,N-diethylacetamide2TK444LD3SN,N-diethyl-alpha-chloroacetamideNSC-1726DTXSID7062326CHLORO-N,N-DIETHYLACETAMIDERefChem:86381

Weitere Namen anzeigen

CDEAtl83WLN: G1VN2&2Caswell No. 333GAKOS BBS-00000866N-diethylacetaMideN,N-Diethyl-2-chloroLABOTEST-BB LT00787906MONOMETHYLFORMAMIDE TECH

DTXCID3036818219-019-2N-ChloroacetyldiethylamineTL 83NSC 1726Diethylamid kyseliny chloroctove2-chloro-N,N-diethyl-acetamide.alpha.-Chloro-N,N-diethylacetamide

Datenbank-Bezeichner

CAS: 2315-36-8
PubChem CID: 16844
DTXSID: DTXSID7062326
UNII: 2TK444LD3S
EC Number: 219-019-2
Nikkaji: J7.396B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,1
Polarare Oberfläche (TPSA): 20,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 3
Schwere Atome: 9
Formalladung: 0
Komplexität: 91,1

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesDielectric constant

Physikochemische Eigenschaften

Schmelzpunkt: 58 °C · 58 °C
Siedepunkt: 121 · 121-122 °C (12 mmHg)
Dichte: 1.089 g/mL · 1.089 g/mL at 25 °C(lit.)
Brechungsindex: 1.469 · 1.469-1.471
Flammpunkt: 110 °C · >110°C
storage temp.: 30 °C · Store below +30°C.
Löslichkeit: 85.5 g/l · 85.5g/l
Aggregatzustand: Liquid or Solid
pka: -0.95 · -0.95±0.70(Predicted)
Wichte: 1.089 · 1.089
Farbe: Clear colorless to light yellow
Wasserlöslichkeit: soluble
BRN: 605866 · 605866
Major Application: agricultureenvironmental
InChI: 1S/C6H12ClNO/c1-3-8(4-2)6(9)5-7/h3-5H2,1-2H3
InChIKey: CQQUWTMMFMJEFE-UHFFFAOYSA-N
SMILES: CCN(CC)C(=O)CCl
CAS Datenbank: 2315 · 2315-36-8(CAS DataBase Reference)
NIST chemische Informationen: 2 · Acetamide, 2-chloro-N,N-diethyl-(2315-36-8)
EPA chemische Informationen: 2 · Acetamide, 2-chloro-N,N-diethyl- (2315-36-8)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (91.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationAcetamide, 2-chloro-N,N-diethyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (91.1%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: 2810
hs_code: 29241900
RTECS-Nr.: AB5425000
risk_code: 36/37/38-26-21/22-20/21/22-38-11
Toxizität: LD50 orally in Rabbit: 500 mg/kg LD50 dermal Rat 980 mg/kg
hazard_code: T+,Xn,Xi,F
safety_code: 45-38-36/37/39-28A-26-28-36-16
hazard_class: 6.1
packing_group: III
Speicherklasse: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Hazard Classifications: Acute Tox. 1 InhalationAcute Tox. 3 DermalAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationAcetamide, 2-chloro-N,N-diethyl-: ACTIVE

Anwendungen · 1 Eintrag

Verwenden2-Chloro-N,N-diethylacetamide has been used in:preparation of calixarene amidessynthesis of 5-bromo-25,26,27,28-tetrakis[(N,N-diethylaminocarbonyl)-methoxy]calix[4]arenesynthesis of amide calix[4]pyrrole macrocycles with super-extended cavitiesmicrowave-assisted organic synthesis of 3-cyano-N,N-diethyl-4-(4-methoxyphenoyl)-4-oxobutanamide