Grundinformationen
- Standard-SMILES
CCN(C=O)CC- InChIKey
SUAKHGWARZSWIH-UHFFFAOYSA-N- Summenformel
- C5H11NO
- Durchschnittliche Molmasse
- 101,15 g/mol
- Monoisotopische Masse
- 101,08406397
Überblick
N,N-diethyl-Formamide is a carboxamide.
Namen und Bezeichner
- Bevorzugter Name
- Diethylformamide
- IUPAC
- N,N-diethylformamide
- Lokaler Name
- N,N-Diethylformamid
- Englischer Name
- N,N-Diethylformamide
- Summenformel
- C5H11NO
- Molmasse
- 101.15
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
617-84-5- PubChem CID
- 12051
- DTXSID
DTXSID3020463- ChEMBL
CHEMBL3186600- ChEBI
CHEBI:183296- UNII
- D4BLP8BN9H
- EC Number
- 210-533-2
- Nikkaji
- J15.779A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,5
- Polarare Oberfläche (TPSA)
- 20,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 50
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 176 · 176-177°C
- Siedepunkt
- 176 · 176-177 °C (lit.)
- Dichte
- 0.908 g/mL · 0.908 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.434(lit.)
- Flammpunkt
- 141 °F · 141 °F
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- Miscible with acetone, benzene, alcohol and ether.
- pka
- -0.44 · -0.44±0.70(Predicted)
- Aggregatzustand
- Liquid
- Farbe
- Clear colorless to pale yellow
- BRN
- 1209392 · 1209392
- Henry's Law Constant
- 1.3 · 1.3×102 mol/(m3Pa) at 25℃, Yaffe et al. (2003)
- Dielectric constant
- 29.02 · 29.02
- InChI
- 1S/C5H11NO/c1-3-6(4-2)5-7/h5H,3-4H2,1-2H3
- InChIKey
- SUAKHGWARZSWIH-UHFFFAOYSA-N
- SMILES
- CCN(CC)C=O
- CAS Datenbank
- 617 · 617-84-5(CAS DataBase Reference)
- EPA chemische Informationen
- Formamide, N,N-diethyl- (617-84-5)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H226 (81.1%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 53 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Formamide, N,N-diethyl-
Diethyl formamide: Does not have an individual approval but may be used under an appropriate group standard
Toxikologische Informationen
RAIS Toxicity Values
0.001
PPRTV Current
0.001
PPRTV Current
EPA Provisional Peer-Reviewed Toxicity Values
Diethylformamide
1 x 10^-3 mg/kg-day
1 x 10^-3 mg/kg-day
PDF Document
Inadequate information to assess carcinogenic potential
2008
Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06
7.80e+01
1.20e+03
2.00e+01
5.00e+00
4.10e-03
1.00e-03
Hazard Quotient Level 3 or Cancer Risk Level 1E-04
2.30e+02
3.50e+03
6.00e+01
5.00e+00
1.00e-03
Volatile
Sicherheitsdaten
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29241990
- RTECS-Nr.
- LQ1925000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36/37/39-37/39
- hazard_class
- 3
- packing_group
- III
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
Chemie und Industrie
Pharmakologische Informationen
Verwendung und Herstellung
Anwendungen
VerwendenN,N-Diethylformamide is used in the synthesis of metal-organic frameworks and Diethyltrifluoromethylamine. It is also used as solvent in the preparation of porous cubic-shaped zinc oxide particles. It is involved in the preparation of quinazoline-2,4(1H,3H)-dione by reacting with o-aminonitrile.
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Ergänzende Hinweise
DefinitionChEBI: N,N-diethyl-Formamide is a carboxamide.
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