Methyl 4-iodobenzoate
Properties
- Molecular formula
- C8H7IO2
- Molar mass
- 262.05 g/mol
- Exact mass
- 261.9491 Da
- Melting point
- 114.8 °C
- logP
- 2.08Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation91.7% of notifiers
- H319 Causes serious eye irritation91.7% of notifiers
- H335 May cause respiratory irritation83.3% of notifiers
- H411 Toxic to aquatic life with long lasting effects16.7% of notifiers
Aggregated from 12 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501
Identifiers
CAS number
619-44-3SMILES
COC(=O)c1ccc(I)cc1InChIKey
DYUWQWMXZHDZOR-UHFFFAOYSA-NInChI
InChI=1S/C8H7IO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
11 names
- Benzoic acid, 4-iodo-, methyl ester
- Benzoic acid, p-iodo-, methyl ester
- Methyl p-iodobenzoate
- 4-(Carbomethoxy)iodobenzene
- 4-Iodobenzoic acid methyl ester
- 4-(Methoxycarbonyl)phenyl iodide
- p-Iodobenzoic acid methyl ester
- p-(Methoxycarbonyl)phenyl iodide
- NSC 9393
- 4-(Methoxycarbonyl)iodobenzene
- 4-(Methoxycarbonyl)-1-iodobenzene
Work with Methyl 4-iodobenzoate
Similar compounds
Dimethyl terephthalate120-61-675 % similar
4,4′-Dimethyl [1,1′-biphenyl]-4,4′-dicarboxylate792-74-567 % similar
Dimethyl 5-iodoisophthalate51839-15-766 % similar
Methyl 3-iodobenzoate618-91-763 % similar
Methyl p-toluate99-75-262 % similar
Methyl benzoate93-58-361 % similar
Methyl 4-chlorobenzoate1126-46-160 % similar
Methyl anisate121-98-260 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds