Basic information
- CAS
617-84-5- Standard SMILES
CCN(C=O)CC- InChIKey
SUAKHGWARZSWIH-UHFFFAOYSA-N- Molecular formula
- C5H11NO
- Average molar mass
- 101.15 g/mol
- Monoisotopic mass
- 101.08406397
Overview
N,N-diethyl-Formamide is a carboxamide.
Names & identifiers
- Preferred name
- Diethylformamide
- IUPAC
- N,N-diethylformamide
- English name
- N,N-Diethylformamide
- Molecular formula
- C5H11NO
- Molecular weight
- 101.15
Names & synonyms
N,N-DIETHYLFORMAMIDE617-84-5DiethylformamideFormamide, N,N-diethyl-N-FormyldiethylamineDiethyl formamideDiethylamid kyseliny mravenciDTXSID3020463D4BLP8BN9HNSC-6242DTXCID50463RefChem:161192
Show more names
N,N-DiethyLn,n-diethyl-formamidJACS-617-84-5DiethylforamideApixaban Impurity 174
210-533-2FormyldiethylamineMFCD00003287N,N-diethyl-formamideN,N-diethylcarboxamideNSC 6242EINECS 210-533-2Diethylamid kyseliny mravenci [Czech]
Database identifiers
- CAS
617-84-5- PubChem CID
- 12051
- DTXSID
DTXSID3020463- ChEMBL
CHEMBL3186600- ChEBI
CHEBI:183296- UNII
- D4BLP8BN9H
- EC Number
- 210-533-2
- Nikkaji
- J15.779A
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 50
Experimental & physicochemical properties
SolventsSolvents -> Amides (<C10)
SpringerMaterials PropertiesBoiling point
Physical DescriptionColorless liquid; [MSDSonline]
Physicochemical properties
- Melting point
- 176 · 176-177°C
- Boiling point
- 176 · 176-177 °C (lit.)
- Density
- 0.908 g/mL · 0.908 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.434(lit.)
- Flash point
- 141 °F · 141 °F
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- Miscible with acetone, benzene, alcohol and ether.
- pka
- -0.44 · -0.44±0.70(Predicted)
- form
- Liquid
- color
- Clear colorless to pale yellow
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
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.
Hazard information
Regulatory Information
Chemical: Formamide, N,N-diethyl-
Diethyl formamide: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryAn eye irritant; [eChemPortal: ERMA] An irritant; [MSDSonline] See Dimethylformamide.
Hazard Classes and CategoriesFlam. Liq. 3 (81.1%)
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
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
Chemistry & industry
Pharmacology
Metabolism/MetabolitesN,n-diethylformamide has known human metabolites that include N-Ethyl-N-(1-hydroxyethyl)formamide.
Uses & manufacturing
UsesIndustrial solvent claimed to have HIV protease inhibitory action. [ChemIDplus]
General Manufacturing InformationFormamide, N,N-diethyl-: ACTIVE
Applications
UsesN,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.
UsesN,N-Diethylformamide was used in the synthesis of metal-organic frameworks. It was also used as solvent in the synthesis of porous cubic-shaped ZnO particles.
General DescriptionN,N-Diethylformamide undergoes condensation with aromatic o-aminonitriles in the presence of ZnCl2 in sealed reactor to yield quinazoline-2,4(1H,3H)-dione.
Upstream & downstream products
Upstream raw materials
Related reactions
54 records
Compound notes
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