Morpholin-4-carbonylchlorid

4-Morpholinecarbonyl chloride

HCID 84810CAS 15159-40-7

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Grundinformationen

Standard-SMILES: O=C(Cl)N1CCOCC1
InChIKey: XMWFMEYDRNJSOO-UHFFFAOYSA-N
Summenformel: C5H8ClNO2
Durchschnittliche Molmasse: 149,57 g/mol
Monoisotopische Masse: 149,02435618

Namen und Bezeichner

Bevorzugter Name: 4-Morpholinecarbonyl chloride
IUPAC: morpholine-4-carbonyl chloride
Lokaler Name: Morpholin-4-carbonylchlorid
Englischer Name: 4-Morpholinecarbonyl chloride
Summenformel: C5H8ClNO2
Molmasse: 149.58

Namen und Synonyme

4-Morpholinecarbonyl chloridemorpholine-4-carbonyl chloride4-Morpholinylcarbonyl ChlorideQ4BT2G3XS8EINECS 239-213-0NSC 50226NSC-50226DTXSID9065863RefChem:99980DTXCID3034905InChI=1/C5H8ClNO2/c6-5(8)7-1-3-9-4-2-7/h1-4HXMWFMEYDRNJSOO-UHFFFAOYSA-N

Weitere Namen anzeigen

4-MorpholinecarbonylMorpholincarbonylchloridN-CHLOROFORMYLMORPHOLINE4-CHLOROCARBONYLMORPHOLINEMORPHOLIN-4-YLCARBONYL CHLORIDE

15159-40-7N-ChlorocarbonylmorpholineMorpholinocarbonyl chloride4-(Chloroformyl)morpholineMorpholine, 4-(chlorocarbonyl)-N-Morpholinocarbonyl chlorideMFCD00037053morpholine-4-carbonylchloride

Datenbank-Bezeichner

CAS: 15159-40-7
PubChem CID: 84810
DTXSID: DTXSID9065863
UNII: Q4BT2G3XS8
EC Number: 239-213-0
Nikkaji: J52.351H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,4
Polarare Oberfläche (TPSA): 29,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 112

Physikochemische Eigenschaften

Siedepunkt: 137 · 137-138 °C/33 mmHg (lit.)
Dichte: 1.282 g/mL · 1.282 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.498(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: 2 · Inert atmosphere,2-8°C
pka: -2.16 · -2.16±0.20(Predicted)
Aggregatzustand: clear liquid
Farbe: Colorless to Light yellow
BRN: 116257 · 116257
InChI: InChI=1S/C5H8ClNO2/c6-5(8)7-1-3-9-4-2-7/h1-4H2
InChIKey: XMWFMEYDRNJSOO-UHFFFAOYSA-N
SMILES: C(Cl)(N1CCOCC1)=O
CAS Datenbank: 15159 · 15159-40-7(CAS DataBase Reference)
EPA chemische Informationen: 4 · 4-Morpholinecarbonyl chloride (15159-40-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Warning

H315: Causes skin irritation [Warning Skin corrosion/irritation]

P203, P264, P264+P265, P280, P302+P352, P305+P351+P338, P318, P321, P332+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P203, P264, P264+P265, P280, P302+P352, P305+P351+P338, P318, P321, P332+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Gefahrenhinweise

Regulatory InformationChemical: 4-Morpholinecarbonyl chloride

Other Safety InformationIMAP assessments - CMR chemicals not registered under REACH: Human health tier II assessment

Hazard Classes and Categories · 3 Einträge

Skin Irrit. 2 (100%)

Carcinogenicity - category 2

Carc. 2

Sicherheitsdaten

F: 10-21
wgk: 3
tsca: TSCA listed
ridadr: UN 3265 8/PG 2
hs_code: 29349990
risk_code: 14-36/38-40
hazard_code: Xn
safety_code: 26-30-36-38
hazard_class: 8
packing_group: II
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Carc. 2Eye Irrit. 2Skin Irrit. 2

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information4-Morpholinecarbonyl chloride: INACTIVE

Anwendungen · 1 Eintrag

Verwenden4-Morpholinecarbonyl chloride may be used in the preparation of a versatile fluorogenic label for biomolecular imaging. It may be used in the synthesis of:morpholine-4-carboxylic acid [4-(2,4-dimethylphenyl)thiazol-2-yl]amidemorpholine-4-carboxylic acid [4-(2,4,6-trimethylphenyl)thiazol-2-yl]amide2-isopropyl-6-methylpyrimidin-4-yl morpholine-4-carboxylate