Ethyl cyanoformate

C₄H₅NO₂CAS 623-49-499.09 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₅NO₂
Molar mass: 99.09 g/mol
Exact mass: 99.0320 Da
Density: 1.0112 g/mL (at 20 °C)
Boiling point: 115.5 °C
logP: 0.07Crippen estimate
Polar surface area: 50.1 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Danger

H226 Flammable liquid and vapor97.9% of notifiers
H301 Toxic if swallowed95.8% of notifiers
H311 Toxic in contact with skin95.8% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H330 Fatal if inhaled10.4% of notifiers
H331 Toxic if inhaled87.5% 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, P262, P264, P270, P271, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P320, P321, P330, P361+P364, P363, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

623-49-4

SMILES

CCOC(=O)C#N

InChIKey

MSMGXWFHBSCQFB-UHFFFAOYSA-N

InChI

InChI=1S/C4H5NO2/c1-2-7-4(6)3-5/h2H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

8 names

Carbonocyanidic acid, ethyl ester
Formic acid, cyano-, ethyl ester
Ethoxycarbonyl cyanide
Cyanoformic acid ethyl ester
NSC 65347
Cyanocarbonyloxyethane
Ethyl carbonocyanidate
2-Ethoxy-2-oxoacetonitrile

Work with Ethyl cyanoformate

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

Diethyl acetylenedicarboxylate762-21-063 % similar Ethyl propiolate623-47-256 % similar Ethyl propiolate823-47-256 % similar Ethyl 2-butynoate4341-76-854 % similar Ethyl 2-pentynoate55314-57-352 % similar Ethyl cyanoacrylate7085-85-052 % similar Methyl cyanoformate17640-15-250 % similar 2-(1-Ethoxyethylidene)propanedinitrile5417-82-348 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Hydroxy-5-methylisoxazole10004-44-1 Methyl cyanoacetate105-34-0 Succinimide123-56-8 1,3-Oxazol-4-ylmethanol155742-48-6 Methyl isocyanoacetate39687-95-1

Elsewhere

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