Iodoethanol

C₂H₅IOCAS 624-76-0171.97 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide

Properties

Molecular formula: C₂H₅IO
Molar mass: 171.97 g/mol
Exact mass: 171.9385 Da
Melting point: 120 °C
Boiling point: 85–88 °C (at 25 Torr)
logP: 0.41Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Danger

H300 Fatal if swallowed100% of notifiers
H310 Fatal in contact with skin13.5% of notifiers
H341 Suspected of causing genetic defects17.3% of notifiers

Aggregated from 52 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P262, P264, P270, P280, P301+P316, P302+P352, P316, P318, P321, P330, P361+P364, P405, P501

Identifiers

CAS number

624-76-0

SMILES

OCCI

InChIKey

QSECPQCFCWVBKM-UHFFFAOYSA-N

InChI

InChI=1S/C2H5IO/c3-1-2-4/h4H,1-2H2

Weigh it out

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

Names and synonyms

6 names

Ethanol, 2-iodo-
2-Iodoethanol
Ethylene iodohydrin
NSC 85227
2-Hydroxyethyl iodide
2-Iodoethan-1-ol

Work with Iodoethanol

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ethylene glycol107-21-142 % similar Polyethylene glycol25322-68-342 % similar 1,2-Diiodoethane624-73-742 % similar Triethanolamine102-71-638 % similar 1,4-Butanediol110-63-436 % similar Polytetrahydrofuran25190-06-136 % similar 1,3-Propanediol504-63-236 % similar 1,3-Diiodopropane627-31-636 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook