Grundinformationen
- Standard-SMILES
O=CN1CCOCC1- InChIKey
LCEDQNDDFOCWGG-UHFFFAOYSA-N- Summenformel
- C5H9NO2
- Durchschnittliche Molmasse
- 115,13 g/mol
- Monoisotopische Masse
- 115,06332853
Überblick
structure in first source
Namen und Bezeichner
- Bevorzugter Name
- N-Formylmorpholine
- IUPAC
- morpholine-4-carbaldehyde
- Lokaler Name
- 4-Morpholincarbaldehyd
- Englischer Name
- 4-Formylmorpholine
- Summenformel
- C5H9NO2
- Molmasse
- 115.13
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
4394-85-8- PubChem CID
- 20417
- DTXSID
DTXSID7044427- UNII
- D1E63XO4RH
- EC Number
- 224-518-3
- Nikkaji
- J149.689A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,6
- Polarare Oberfläche (TPSA)
- 29,5 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 78,5
Experimentelle und physikochemische Eigenschaften
Physical Description
Liquid; CBI
Clear colorless liquid; mp = 20-23 deg C; [Sigma-Aldrich MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 20 · 20-23 °C (lit.)
- Siedepunkt
- 236 · 236-237 °C (lit.)
- Dichte
- 1.145 g/mL · 1.145 g/mL at 25 °C (lit.)
- Dampfdruck
- 0.03 hPa · 0.03 hPa (20 °C)
- Brechungsindex
- 20 · n20/D 1.485(lit.)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- SOLUBLE
- pka
- -0.75 · -0.75±0.20(Predicted)
- Aggregatzustand
- Liquid
- Farbe
- Clear yellow
- PH
- 10 · 10 (250g/l, H2O, 20℃)
- Explosionsgrenze
- 1.2 · 1.2-8.2%(V)
- Wasserlöslichkeit
- SOLUBLE
- BRN
- 110293 · 110293
- Kosmetik-Inhaltsstoffe Funktionen
- SOLVENT
- InChI
- 1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2
- InChIKey
- LCEDQNDDFOCWGG-UHFFFAOYSA-N
- SMILES
- [H]C(=O)N1CCOCC1
- LogP
- -1.2 at · -1.2 at 23℃
- CAS Datenbank
- 4394 · 4394-85-8(CAS DataBase Reference)
- NIST chemische Informationen
- N-Formylmorpholine(4394-85-8)
- EPA chemische Informationen
- 4 · 4-Morpholinecarboxaldehyde (4394-85-8)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H317 (74.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 259 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
Gefahrenhinweise
Regulatory Information
Chemical: 4-Morpholinecarboxaldehyde
4-Morpholinecarboxaldehyde is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 4-Morpholinecarboxaldehyde are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 29-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/11158
4-Morpholinecarboxaldehyde: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
A mild skin and eye irritant; Oral LD50 (rat) = 6.5 mL/kg; [RTECS] May cause skin sensitization; [ECHA REACH Registrations] Search for (4394-85-8[EC/RN Number]) AND (dermatitis OR allergic OR sensitizer OR sensitization): no results; [PubMed] An eye and mild skin irritant; [Sigma-Aldrich MSDS]
Hazard Classes and Categories
Skin Sens. 1 (74.1%)
Skin sensitization - Category 1B
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29349990
- RTECS-Nr.
- QD9694000
- risk_code
- 36/37/38
- Toxizität
- LD50 orally in Rabbit: > 7360 mg/kg LD50 dermal Rabbit > 18400 mg/kg
- safety_code
- 23-24/25
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Skin Sens. 1
- Selbstentzündungstemperatur
- 345 °C DIN 51794
Chemie und Industrie
Verwendung und Herstellung
Uses
Used as an intermediate, laboratory reagent, in gas treatment, cleaning agents, and professional and consumer coatings; [ECHA REACH Registrations]
Painting (Pigments, Binders, and Biocides) [Category: Paint]
General Manufacturing Information
Computer and Electronic Product Manufacturing
4-Morpholinecarboxaldehyde: ACTIVE
Anwendungen
Beschreibung4-Formylmorpholine is an excellent non-protonic solvent. It is widely used as a solvent and extractant for aromatics. It is used as a detergent for acid gases. In the field of organic synthesis, it can be used to prepare labelled 14C, 4-(trifluoromethyl)morpholine, 3-alkyl-2-chloro-5,6-dihydrobenzaldehyde, triple-biphenyldialdehyde and phenylpropargyl aldehyde. It plays an important role in the desulphurisation of natural gas, syngas, flue gas and petrol.
Verwenden4-Formylmorpholine is widely used as a solvent and extracting agent for aromatics. It is used as a scrubbing agent for acidic gases. It is employed in the preparation of adenine hydrochloride labeled with 14C, 4-(trifluoromethyl)morpholine, 3-alkyl-2-chloro-5,6-dihydrobenzaldehyde and terphenyl dialdehyde. It plays an important role in the desulfurization of natural gas, synthetic gas, flue gas and gasoline.
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