N,N-diethylformamide

• ChemBase ID: 103198
• Molecular Formular: C5H11NO
• Molecular Mass: 101.14694
• Monoisotopic Mass: 101.08406398
• SMILES: CCN(CC)C=O
• Canonical SMILES: CCN(C=O)CC
• InChI: InChI=1S/C5H11NO/c1-3-6(4-2)5-7/h5H,3-4H2,1-2H3
• InChIKey: SUAKHGWARZSWIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-diethylformamide
• IUPAC Traditional name: N,N-diethylformamide
• Synonyms: N,N-Diethylformamide; N,N-DIETHYLFORMAMIDE; DIETHYLFORMAMIDE; N,N-二乙基甲酰胺

Database IDs

• CAS Number: 617-84-5
• EC Number: 210-533-2
• MDL Number: MFCD00003287
• Beilstein Number: 1209392
• PubChem SID: 24851213; 24859236; 162090670
• PubChem CID: 12051

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.08198092
• LogD (pH = 7.4): 0.081981
• Log P: 0.081981
• Molar Refractivity: 29.266 cm^3
• Polarizability: 11.1500025 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 176-177 °C(lit.); 178°C
• Flash Point: 140 °F; 60 °C; 65°C(149°F)
• Density: 0.908 g/mL at 25 °C(lit.); 0.91 g/ml; 0.910
• Refractive Index: 1.4340; n20/D 1.434; n20/D 1.434(lit.)
• Hydrophobicity(logP): 0.02

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: LQ1925000
• European Hazard Symbols: Irritant (Xi)
• UN Number: 1993
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 36; 36/37/38
• Safety Statements: 26; 26-36/37/39
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315-H319-H335; H319-H227
• GHS Precautionary statements: P210-P280-P305+P351+P338-P337+P313-P403+P235-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3

Product Information

• Purity: ≥99.0% (GC); 95%; 95+%; 99%
• Grade: purum
• Linear Formula: HCON(C2H5)2

DETAILS

MP Biomedicals - 02150893

Purity: 99%
1 ml = approx. 0.91 g

Sigma Aldrich - 186317

Packaging
25, 100 g in glass bottle