N-methylformamide

• ChemBase ID: 104339
• Molecular Formular: C2H5NO
• Molecular Mass: 59.0672
• Monoisotopic Mass: 59.03711379
• SMILES: CNC=O
• Canonical SMILES: CNC=O
• InChI: InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)
• InChIKey: ATHHXGZTWNVVOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methylformamide
• IUPAC Traditional name: methylformamide
• Synonyms: N-Methylformamide; Methylformide; NMF; N-Formylmethylamine; N-METHYLFORMAMIDE; 甲基甲酰胺; N-甲基甲酰胺

Database IDs

• CAS Number: 123-39-7
• EC Number: 204-624-6
• MDL Number: MFCD00003280
• Beilstein Number: 1098352
• Merck Index: 146076
• PubChem SID: 24896763; 24870945; 162091584
• PubChem CID: 31254
• CHEBI ID: 7438
• CHEMBL: 9240
• Chemspider ID: 28994
• KEGG ID: C11489
• MeSH Name: methylformamide
• Wikipedia Title: N-Methylformamide

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.8553111
• LogD (pH = 7.4): -0.855311
• Log P: -0.855311
• Molar Refractivity: 14.8721 cm^3
• Polarizability: 5.658248 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• Acid pKa: 16.54298

PROPERTIES

Physical Property

• Solubility: Miscible in water
• Apperance: Colourless liquid
• Melting Point: -4 °C(lit.); -4°C; -4°C; -40°C
• Boiling Point: 180-185°C; 181-185°C; 182.55°C (455.7K); 198-199 °C(lit.)
• Flash Point: 111 °C; 231.8 °F; 232 °F; 98.8°C; 98°C(208°F)
• Density: 1.011 g mL^-1; 1.011 g/ml; 1.011 g/mL at 25 °C(lit.); 1.018
• Refractive Index: 1.432; 1.4320; n20/D 1.432; n20/D 1.432(lit.)
• Vapor Pressure: 3.08 x 10-2 mm Hg (estimated) at 25 °C
• Odor: fishy, ammoniacal
• Heat Capacity: 125.2 J K^-1 mol^-1

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: LQ3000000
• European Hazard Symbols: Toxic (T); Harmful (Xn)
• German water hazard class: 1
• Risk Statements: 61-21; 61-21.1; R:22-36; r61, r21
• Safety Statements: 53.1-45; 53-45; S:26-36/37/39; s45
• TSCA Listed: 是
• EU Index: 616-056-00-X
• GHS Pictograms: GHS exclamation mark; GHS health hazard; GHS07; GHS08
• GHS Signal Word: Danger
• LD50: 4 g kg^-1 (oral, rat)
• GHS Hazard statements: 312, 360; H312-H360; H360-H312
• GHS Precautionary statements: 280, 308+313; P201-P280-P308 + P313; P280-P281-P302+P352-P322-P405-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥99.0% (GC); 99%
• Grade: purum
• Linear Formula: HCONHCH3

DETAILS

MP Biomedicals - 05214425

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02155549

(N-Formylmethylamine) 1 ml = approx. 1.01 g

Sigma Aldrich - M46705

Legal Information
DuPont product

Sigma Aldrich - 473936

Packaging
1 L in poly bottle
100, 250 mL in poly bottle

REFERENCES

• Reagent for replacement of an activated chlorine in an aromatic or heteroaromatic ring by the methylamino group: Synthesis, 39 (1980).
• Precursor of methyl isocyanide (highly toxic!), by dehydration with tosyl chloride in pyridine: Org. Synth. Coll., 5, 772 (1973).