Methyl isocyanate
Properties
- Molecular formula
- C2H3NO
- Molar mass
- 57.05 g/mol
- Exact mass
- 57.0215 Da
- Density
- 0.9599 g/mL (at 20 °C)
- Melting point
- −45 °C
- Boiling point
- 39.1–40.1 °C
- Flash point
- -7.2 °C (closed cup)
- Water solubility
- 100 g/L (15 °C)
- logP
- -0.05Crippen estimate
- Polar surface area
- 29.4 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 0
Hazards
Danger
- H225 Highly Flammable liquid and vaporFlammable liquids
- H301 Toxic if swallowedAcute toxicity, oral
- H311 Toxic in contact with skinAcute toxicity, dermal
- H315 Causes skin irritationSkin corrosion/irritation
- H317 May cause an allergic skin reactionSensitization, Skin
- H318 Causes serious eye damageSerious eye damage/eye irritation
- H330 Fatal if inhaledAcute toxicity, inhalation
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaledSensitization, respiratory
- H335 May cause respiratory irritationSpecific target organ toxicity, single exposure; Respiratory tract irritation
- H361d *** Suspected of damaging the unborn childReproductive toxicity
Harmonised EU classification (CLP Annex VI, index 615-001-00-7), via PubChem.
Precautionary statements
P203, P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P318, P319, P320, P321, P330, P332+P317, P333+P317, P342+P316, P361+P364, P362+P364, P370+P378, P403, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
624-83-9SMILES
CN=C=OInChIKey
HAMGRBXTJNITHG-UHFFFAOYSA-NInChI
InChI=1S/C2H3NO/c1-3-2-4/h1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- Methane, isocyanato-
- Isocyanic acid, methyl ester
- Isocyanatomethane
- MIC
- NSC 64323
- (Methylimino)(oxo)methane
Work with Methyl isocyanate
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Ethyl isocyanate109-90-035 % similar
Trimethylsilyl isocyanate1118-02-135 % similar
tert-Butyl isocyanate1609-86-535 % similar
Isopropyl isocyanate1795-48-835 % similar
Methyl isothiocyanate556-61-633 % similar
Propyl isocyanate110-78-132 % similar
Chlorosulfonyl isocyanate1189-71-532 % similar
Tetramethylene diisocyanate4538-37-830 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds