Ethyl isocyanate
Properties
- Molecular formula
- C3H5NO
- Molar mass
- 71.08 g/mol
- Exact mass
- 71.0371 Da
- Density
- 0.9031 g/mL (at 20 °C)
- Melting point
- 204–205 °C
- Boiling point
- 60 °C
- logP
- 0.34Crippen estimate
- Polar surface area
- 29.4 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Danger
- H225 Highly Flammable liquid and vapor95.8% of notifiers
- H301 Toxic if swallowed87.5% of notifiers
- H302 Harmful if swallowed10.4% of notifiers
- H312 Harmful in contact with skin85.4% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H330 Fatal if inhaled12.5% of notifiers
- H332 Harmful if inhaled85.4% of notifiers
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P317, P319, P320, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P370+P378, P403, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
109-90-0SMILES
CCN=C=OInChIKey
WUDNUHPRLBTKOJ-UHFFFAOYSA-NInChI
InChI=1S/C3H5NO/c1-2-4-3-5/h2H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- Ethane, isocyanato-
- Isocyanic acid, ethyl ester
- Isocyanatoethane
- NSC 89687
Work with Ethyl 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
Propyl isocyanate110-78-152 % similar
Butyl isocyanate111-36-448 % similar
Pentyl isocyanate3954-13-046 % similar
Tetramethylene diisocyanate4538-37-845 % similar
Octadecyl isocyanate112-96-944 % similar
Undecyl isocyanate2411-58-744 % similar
Hexyl isocyanate2525-62-444 % similar
Octyl isocyanate3158-26-744 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds