1-Ethyl-2-iodobenzene
Properties
- Molecular formula
- C8H9I
- Molar mass
- 232.06 g/mol
- Exact mass
- 231.9749 Da
- Boiling point
- 220–221 °C
- logP
- 2.85Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation37.5% of notifiers
Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
18282-40-1SMILES
CCc1ccccc1IInChIKey
ZEJZDNMOGNUIHL-UHFFFAOYSA-NInChI
InChI=1S/C8H9I/c1-2-7-5-3-4-6-8(7)9/h3-6H,2H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- Benzene, 1-ethyl-2-iodo-
- o-Ethyliodobenzene
- 1-Iodo-2-ethylbenzene
- 2-Ethyliodobenzene
Work with 1-Ethyl-2-iodobenzene
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
1,2-Diethylbenzene135-01-362 % similar
1-Ethyl-2-methylbenzene611-14-356 % similar
2-Iodobenzyl bromide40400-13-354 % similar
2-Iodobenzyl alcohol5159-41-154 % similar
2-Iodobenzyl chloride59473-45-954 % similar
4-Bromo-2-ethyl-1-iodobenzene175278-30-550 % similar
1-Bromo-2-ethylbenzene1973-22-450 % similar
2-Iodophenylacetonitrile40400-15-550 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.