Methyl Isocyanate
An organic compound, C2H3NO, 57.052 g/mol. Boiling point 39.5 °C, melting point -45 °C, as published.
Identifiers
- Molecular formula
- C₂H₃NO
- Molecular weight
- 57.052 g/mol
- Exact mass
- 57.021464 g/mol
- IUPAC name
- methylimino(oxo)methane
- CN=C=O
- InChI=1S/C2H3NO/c1-3-2-4/h1H3
- HAMGRBXTJNITHG-UHFFFAOYSA-N
Measured properties
- Boiling Point
- 102 °F at 760 mmHg (EPA, 1998)
- 39.5 °C
- Melting Point
- -112 °F (EPA, 1998)
- -45 °C
- Density
- 0.9599 at 68 °F (EPA, 1998) - Less dense than water; will float
- 0.9230 g/cu cm at 27 °C
- Solubility
- Decomposes (NTP, 1992)
- 10 G/100 ML WATER AT 15 °C
- Vapor Pressure
- 348 mmHg at 68 °F (EPA, 1998)
- 348.0 [mmHg]
- Flash Point
- 19 °F (EPA, 1998)
- -7 °C
- Refractive Index
- Index of refraction = 1.3419 at 18 °C
Calculated properties
- Molecular weight
- 57.05 g/mol
- Exact mass
- 57.021463719 Da
- XLogP3
- 1.1
- Polar surface area
- 29.4 Ų
- Complexity
- 44
- H-bond donors
- 0
- H-bond acceptors
- 2
- logP
- -0.048
- Topological polar surface area
- 29.43 Ų
- H-bond donors
- 0
- H-bond acceptors
- 2
- Rotatable bonds
- 0
- Molar refractivity
- 14.0455 cm³/mol
- Fraction sp³ carbons
- 0.5
- QED drug-likeness
- 0.2829
What it is made of
Structure
- Heavy atoms, hydrogen excluded
- 4
- Total atoms, hydrogen included
- 7
- Rings
- 0
- Aromatic rings
- 0
- Stereocentres
- 0
- Formal charge
- 0
The molecule in three dimensions
The drawing above is a diagram of what is bonded to what. A molecule is not flat, and the model here is one low-energy shape generated from the connectivity — useful for seeing which groups can reach each other, and not a measured structure. A real sample is a population of conformations, interconverting.
Reactions it appears in
Other names for it
The systematic name on this record is methylimino(oxo)methane.
The sources also call it Isocyanatomethane, Methane, isocyanato-, methylisocyanate, Methyl carbonimide, Methylcarbylamine, Isocyanate de methyle, Iso-cyanatomethane, Methylisocyanaat, Isocyanic acid, methyl ester, Methyl isocyanat, Metil isocianato.
Structurally related
Seen alongside it in reaction records
Molecules that appear in the same recorded reactions as Methyl Isocyanate. This says nothing about structure: most of them are the bases, solvents, ligands and catalysts the chemistry needed, and they are here because somebody put them in the same flask.
1,4-Dioxane
used as a reactant
C₄H₈O₂, 88.106 g/mol.
(Dibutyl)stannane
used as a reactant
C₈H₁₈Sn+2, 232.943 g/mol.
1,2-Dichloroethane
used as a reactant
C₂H₄Cl₂, 98.96 g/mol.
1-(1-Bromo-3-isopropyl-4-oxo-3,4-dihydro-phthalazin-6-yl)-3-methyl-urea
formed as a product
C₁₃H₁₅BrN₄O₂, 339.193 g/mol.
1,3-Dimethyl-3-(3-t-butyl-5-isoxazolyl)-urea
formed as a product
C₁₀H₁₇N₃O₂, 211.265 g/mol.
Where these values came from
chemistry engine
What this page does not claim
Identifiers are copied from the source record, measured values are reported as published, and calculated values are marked as calculated. Nothing here is a hazard, purity or handling assessment — how the library is checked.
Where to next
More molecules under M
The rest of this shelf, a hundred names at a time.
Molar mass calculator
Work with C2H3NO in a calculation, with every element's contribution shown.
Molarity calculator
Grams of Methyl Isocyanate for a volume and a concentration, or the concentration a mass gives.
Open in ReactionLens
The full record in the workstation: every atom, every bond, and the reactions it appears in.