formamide

• ChemBase ID: 103273
• Molecular Formular: CH3NO
• Molecular Mass: 45.04062
• Monoisotopic Mass: 45.02146372
• SMILES: NC=O
• Canonical SMILES: NC=O
• InChI: InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)
• InChIKey: ZHNUHDYFZUAESO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: formamide
• IUPAC Traditional name: formamide
• Synonyms: Formamide, Spectrophotometric Grade; Formamide, ACS; HYDRANAL®-Formamide dry; Formamide solution; Carbamaldehyde; Methanamide; Formic amide; FORMAMIDE; Formamide; Formamide; Amide C1; 甲酰胺, 光谱级; 甲酰胺, ACS; 甲酰胺; HYDRANAL®-无水甲酰胺; 甲酰胺 溶液; C1 酰胺; 氨基甲醛; 甲酰胺

Database IDs

• CAS Number: 75-12-7
• EC Number: 200-842-0
• MDL Number: MFCD00007941
• Beilstein Number: 505995
• Merck Index: 144237
• PubChem SID: 24882076; 24857817; 24871294; 24871292; 24882117; 24894943; 24894985; 24882105; 24879220; 162090353; 24853220; 24861472; 24894893
• PubChem CID: 713
• CHEBI ID: 48431
• CHEMBL: 266160
• Chemspider ID: 693
• KEGG ID: C00488
• Wikipedia Title: Formamide

CALCULATED PROPERTIES

• Acid pKa: 16.66931
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.0789874
• LogD (pH = 7.4): -1.078987
• Log P: -1.078987
• Molar Refractivity: 9.9754 cm^3
• Polarizability: 3.849606 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

• Solubility: H2O: soluble10 M at 20 °C, clear, colorless; Miscible in water
• Apperance: APHA: ≤10; clear, colorless liquid; Liquid
• Melting Point: 2 - 3°C; 2 °C; 2°C; 2-3 °C(lit.)
• Boiling Point: 210 °C; 210 °C(lit.); 210°C; 210°C
• Flash Point: 150 °C; 150°C(302°F); 154 °C (closed cup); 154°C(310°F); 175 °C (open cup and DIN 51584); 185 °F; 188.6 °F; 302 °F; 85 °C; 87 °C
• Auto Ignition Point: > 500 Grad C (DIN 51794); 932 °F
• Density: 1.132 g/mL at 20 °C; 1.133 g/cm^3; 1.133 g/cm^3 at 20 °C; 1.134; 1.134 g/mL at 25 °C(lit.)
• Refractive Index: 1.4475; n20/D 1.447; n20/D 1.447(lit.)
• Vapor Pressure: .08 hPa at 20 °C; 0.08 mmHg ( 20 °C); 0.08 mmHg at 20 °C; 30 mmHg ( 129 °C)
• Vapor Density: 1.55 (vs air); 1.56 (air = 1)
• Absorption Wavelength: λ: 260 nm Amax: ≤0.4; λ: 275 nm Amax: 1.00; λ: 280 nm Amax: ≤0.1; λ: 280 nm Amax: 0.20; λ: 300 nm Amax: 0.05; λ: 360 nm Amax: 0.02; λ: 400 nm Amax: 0.01
• pKa: 23.5 (in DMSO)
• Transition Temperature: freezing point 2.0-3.0 °C; solidification point 2-3 °C; transition temp 2.0-3.0 °C
• pH: 7-9 (25 °C, 1 M in H2O)

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: Hygroscopic
• RTECS: LQ0525000
• European Hazard Symbols: Nature polluting (N); Toxic (T); Harmful (Xn)
• German water hazard class: 1; 2
• Risk Statements: 61