Ethyl isocyanoacetate
Properties
- Molecular formula
- C5H7NO2
- Molar mass
- 113.12 g/mol
- Exact mass
- 113.0477 Da
- Boiling point
- 30–40 °C (at 15 Torr)
- logP
- 0.47Crippen estimate
- Polar surface area
- 30.7 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Hazards
Danger
- H302 Harmful if swallowed89.1% of notifiers
- H311 Toxic in contact with skin10.9% of notifiers
- H312 Harmful in contact with skin12.7% of notifiers
- H315 Causes skin irritation21.8% of notifiers
- H319 Causes serious eye irritation21.8% of notifiers
- H332 Harmful if inhaled89.1% of notifiers
- H335 May cause respiratory irritation20% of notifiers
Aggregated from 55 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
2999-46-4SMILES
[C-]#[N+]CC(=O)OCCInChIKey
FPULFENIJDPZBX-UHFFFAOYSA-NInChI
InChI=1S/C5H7NO2/c1-3-8-5(7)4-6-2/h3-4H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
10 names
- Acetic acid, 2-isocyano-, ethyl ester
- Acetic acid, isocyano-, ethyl ester
- (Ethoxycarbonyl)methyl isonitrile
- Isocyanoacetic acid ethyl ester
- α-Isocyanoacetic acid ethyl ester
- Ethyl α-isocyanoacetate
- Ethyl 2-isocyanoacetate
- Ethoxycarbonylmethyl isocyanide
- 2-Ethoxy-2-oxoethyl isocyanide
- 2-Ethyloxycarbonylmethyl isocyanide
Work with Ethyl isocyanoacetate
Similar compounds
Methyl isocyanoacetate39687-95-157 % similar
Diethyl malonate105-53-354 % similar
Diethyl succinate123-25-154 % similar
Ethyl propionate105-37-352 % similar
Diethyl glutarate818-38-252 % similar
T-Butyl isocyanoacetate2769-72-452 % similar
Diethyl adipate141-28-650 % similar
Ethyl bromoacetate105-36-248 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.