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CAS No.: | 593-75-9 |
---|---|
Name: | METHYL ISOCYANIDE |
Article Data: | 66 |
Molecular Structure: | |
Formula: | C2H3 N |
Molecular Weight: | 41.0525 |
Synonyms: | Methylisocyanide (6CI,8CI); Isoacetonitrile; Isocyanomethane; Methyl isonitrile |
Density: | 0.7424 |
Melting Point: | -45°C |
Boiling Point: | 81.65°C (estimate) |
Solubility: | 91g/L(15 oC) |
Safety: | Poison. A shock- and heat-sensitive explosive. Explodes when heated in a sealed container. Has exploded on distillation. When heated to decomposition it emits highly toxic fumes of CN− and NOx. See also NITRILES. |
PSA: | 0.00000 |
LogP: | -0.23380 |
Molecule structure of Methyl isocyanide (CAS NO.593-75-9) :
IUPAC Name: isocyanomethane
Molecular Weight: 41.05192 g/mol
Molecular Formula: C2H3N
Melting Point: -4.50E+01 deg C
Boiling Point: 59.6 deg C
pKa Dissociation Constant: -4.30E+00
log P (octanol-water): -0.150
Water Solubility: 1.37E+05 mg/L
Vapor Pressure: 122 mm Hg
Henry's Law Constant: 3.06E-05 atm-m3/mole
Atmospheric OH Rate Constant: 2.58E-14 cm3/molecule-sec
H-Bond Acceptor: 1
Exact Mass: 41.026549
MonoIsotopic Mass: 41.026549
Topological Polar Surface Area: 4.4
Heavy Atom Count: 3
Complexity: 29.3
Canonical SMILES: C[N+]#[C-]
InChI: InChI=1S/C2H3N/c1-3-2/h1H3
InChIKey: ZRKSVHFXTRFQFL-UHFFFAOYSA-N
EINECS: 209-806-9
Methyl isocyanide (CAS NO.593-75-9) is mainly used for making 5-membered heterocyclic rings. Methyl isocyanide is useful for the preparation of various heterocycles. It is also a ligand in organometallic chemistry.
Methyl isocyanide was first prepared Gautier by reaction of silver cyanide with methyl iodide.[1][2] The common method for preparing methyl isocyanides is the dehydration of N-methylformamide.
Community Right-To-Know List.
Poison. A shock- and heat-sensitive explosive. Explodes when heated in a sealed container. Has exploded on distillation. When heated to decomposition it emits highly toxic fumes of CN− and NOx. See also NITRILES.
Methyl isocyanide (CAS NO.593-75-9) is also called Isocyanomethane ; Methane, isocyano- . Methyl isocyanide (CAS NO.593-75-9) is an organic compound and a member of the isocyanide family. This colorless liquid is structurally similar to the isomeric methyl cyanide (acetonitrile), but its reactivity is very different.