CAS 78375-48-1 4-(2-Isocyanoethyl)morpholine (HCID 2759434)

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Grundinformationen

CAS: 78375-48-1
Standard-SMILES: [C-]#[N+]CCN1CCOCC1
InChIKey: MFRZPLYKVDHOSN-UHFFFAOYSA-N
Summenformel: C7H12N2O
Durchschnittliche Molmasse: 140,18 g/mol
Monoisotopische Masse: 140,094963

Namen und Bezeichner

Bevorzugter Name: 4-(2-Isocyanoethyl)morpholine
IUPAC: 4-(2-isocyanoethyl)morpholine
Englischer Name: 2-Morpholinoethyl isocyanide
Summenformel: C7H12N2O
Molmasse: 140.19

Namen und Synonyme

4-(2-isocyanoethyl)morpholineMorpholine, 4-(2-isocyanoethyl)-DTXSID50374788RefChem:512549DTXCID703258182-Morpholinoethyl isocyanide78375-48-12-MorpholinoethylisocyanideMFCD00040506morpholinoethylisocyanide2-Morpholino-ethyl-isocyanide2-(morpholin-4-yl)ethylisocyanide

Weitere Namen anzeigen

MEISKL0872-Morpholinoethyl isMorpholino ethyl isocyanide2-Morpholino-ethyl-isocyanateMorpholinyl-4-ethylisocyanid-24-(2-Isocyanatoethyl)morpholineMEI 2-MORPHOLINOETHYL ISOCYANIDE

F87379EN300-1853864AM83846morpholinoethyl isonitrileFT-06165452-orpholinoethyl isocyanide2-morpholino-ethyl isocyanide2-?Morpholinoethyl isocyanide

Datenbank-Bezeichner

CAS: 78375-48-1
PubChem CID: 2759434
DTXSID: DTXSID50374788
EC Number: 684-902-5
Nikkaji: J370.741E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,4
Polarare Oberfläche (TPSA): 16,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 10
Formalladung: 0
Komplexität: 132

Physikochemische Eigenschaften

Siedepunkt: 72 · 72-73 °C0.7 mm Hg(lit.)
Dichte: 1.017 g/mL · 1.017 g/mL at 20 °C(lit.)
Brechungsindex: 20 · n20/D 1.469
Flammpunkt: 110 · 110 ºC
storage temp.: -20 °C · -20°C
Aggregatzustand: liquid
BRN: 4666990 · 4666990
InChI: InChI=1S/C7H12N2O/c1-8-2-3-9-4-6-10-7-5-9/h2-7H2
InChIKey: MFRZPLYKVDHOSN-UHFFFAOYSA-N
SMILES: C(N1CCOCC1)C[N+]#[C-]
CAS Datenbank: 78375 · 78375-48-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, 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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationMorpholine, 4-(2-isocyanoethyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Sicherheitsdaten

F: 10-21
wgk: 3
ridadr: UN 2810 6.1/PG 3
risk_code: 23/24/25-36/37/38
hazard_code: T
safety_code: 26-36/37-45
hazard_class: 6.1(b)
packing_group: III
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2-Morpholinoethyl isocyanide can be used for the synthesis of:Nitrogen acyclic carbene (NAC) complexes to be used as catalysts for the synthesis of phenol and hydration of alkynes.Variety of imidazo[1,2-a]pyridines and α-acylaminoamides by Ugi condensation reaction.2-Aminobenzoxazoles and 3-aminobenzoxazines having important therapeutic activities.It can also be used as a ligand in bis-cyclometalated iridium complexes for the organic light emitting diodes (OLEDs).