N-methyl-N-(pyridin-2-yl)formamide

• ChemBase ID: 151258
• Molecular Formular: C7H8N2O
• Molecular Mass: 136.15122
• Monoisotopic Mass: 136.06366289
• SMILES: CN(C=O)c1ccccn1
• Canonical SMILES: O=CN(c1ccccn1)C
• InChI: InChI=1S/C7H8N2O/c1-9(6-10)7-4-2-3-5-8-7/h2-6H,1H3
• InChIKey: DIRVEOCOAHGVJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-(pyridin-2-yl)formamide
• IUPAC Traditional name: N-methyl-N-(pyridin-2-yl)formamide
• Synonyms: N-Formyl-N-methylaminopyridine; Meyers’ Reagent; N-Methyl-N-(2-pyridyl)formamide; N-甲酰基-N-甲基氨基吡啶; Meyers 试剂; N-甲基-N-(2-吡啶基)甲酰胺

Database IDs

• CAS Number: 67242-59-5
• EC Number: 266-616-9
• MDL Number: MFCD00006260
• Beilstein Number: 471767
• PubChem SID: 162245414; 24854178
• PubChem CID: 572611

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.4025326
• LogD (pH = 7.4): 0.40310138
• Log P: 0.40310866
• Molar Refractivity: 37.703 cm^3
• Polarizability: 14.314497 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 71-72 °C/0.05 mmHg(lit.)
• Flash Point: 109 °C; 228.2 °F
• Density: 1.137 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.566; n20/D 1.566(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥95.0% (GC); 99%
• Grade: purum
• Empirical Formula (Hill Notation): C7H8N2O

DETAILS

Sigma Aldrich - 236543

Packaging
5 g in glass bottle

Sigma Aldrich - 47726

Other Notes
Reagent for a facile and efficient formylation of Grignard reagents1,2,3