Ethyl iodoacetate

C4H7IO2CAS 623-48-3214.00 g/mol

Open in Covalent MOL file
OOI
Alkyl halideEster

Properties

Molecular formula
C4H7IO2
Molar mass
214.00 g/mol
Exact mass
213.9491 Da
Density
1.762 g/mL (at 24 °C)
Melting point
below 25 °C
Boiling point
179 °C
logP
0.98Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Danger
Corrosive (GHS05)Acute Toxic (GHS06)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, P501

Identifiers

CAS number
623-48-3
SMILES
CCOC(=O)CI
InChIKey
MFFXVVHUKRKXCI-UHFFFAOYSA-N
InChI
InChI=1S/C4H7IO2/c1-2-7-4(6)3-5/h2-3H2,1H3

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Names and synonyms

7 names
  • Acetic acid, 2-iodo-, ethyl ester
  • Acetic acid, iodo-, ethyl ester
  • Ethyl 2-iodoacetate
  • Ethyl monoiodoacetate
  • Iodoacetic acid ethyl ester
  • KSK
  • NSC 58809

Work with Ethyl iodoacetate

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 malonate105-53-361 % similar Diethyl succinate123-25-161 % similar Ethyl propionate105-37-358 % similar Diethyl glutarate818-38-258 % similar Diethyl adipate141-28-656 % similar Ethyl bromoacetate105-36-254 % similar Ethyl chloroacetate105-39-554 % similar Diethyl 1,3-acetonedicarboxylate105-50-054 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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