Ethyl 2-iodobenzoate
Properties
- Molecular formula
- C9H9IO2
- Molar mass
- 276.07 g/mol
- Exact mass
- 275.9647 Da
- Boiling point
- 120–125 °C (at 2.5 Torr)
- logP
- 2.47Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Hazards
Warning
- H302 Harmful if swallowed12.5% of notifiers
- H312 Harmful in contact with skin12.5% of notifiers
- H315 Causes skin irritation75% of notifiers
- H319 Causes serious eye irritation75% of notifiers
- H332 Harmful if inhaled12.5% of notifiers
- H335 May cause respiratory irritation12.5% of notifiers
Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
1829-28-3SMILES
CCOC(=O)c1ccccc1IInChIKey
QOUFDDUDXYJWHV-UHFFFAOYSA-NInChI
InChI=1S/C9H9IO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6H,2H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Benzoic acid, 2-iodo-, ethyl ester
- Benzoic acid, o-iodo-, ethyl ester
- Ethyl o-iodobenzoate
- 2-Iodobenzoic acid ethyl ester
- 2-(Ethoxycarbonyl)iodobenzene
- o-Iodobenzoic acid ethyl ester
Work with Ethyl 2-iodobenzoate
Similar compounds
Diethyl phthalate84-66-273 % similar
Ethyl 2-methylbenzoate87-24-168 % similar
Ethyl 2-bromobenzoate6091-64-163 % similar
Methyl 2-iodobenzoate610-97-962 % similar
Ethyl salicylate118-61-661 % similar
Ethyl o-fluorobenzoate443-26-561 % similar
Ethyl 2-ethoxybenzoate6290-24-061 % similar
Ethyl o-chlorobenzoate7335-25-361 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.