Methyl 2-amino-5-iodobenzoate
Properties
- Molecular formula
- C8H8INO2
- Molar mass
- 277.06 g/mol
- Exact mass
- 276.9600 Da
- Melting point
- 83–84 °C
- logP
- 1.66Crippen estimate
- Polar surface area
- 52.3 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed25% of notifiers
- H312 Harmful in contact with skin25% of notifiers
- H315 Causes skin irritation75% of notifiers
- H319 Causes serious eye irritation75% of notifiers
- H332 Harmful if inhaled25% of notifiers
- H335 May cause respiratory irritation50% of notifiers
Aggregated from 4 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
77317-55-6SMILES
COC(=O)c1cc(I)ccc1NInChIKey
NNXVARLKWUFGGG-UHFFFAOYSA-NInChI
InChI=1S/C8H8INO2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,10H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Benzoic acid, 2-amino-5-iodo-, methyl ester
- Anthranilic acid, 5-iodo-, methyl ester
- Methyl 5-iodoanthranilate
- 5-Iodoanthranilic acid methyl ester
- 2-Amino-5-iodobenzoic acid methyl ester
Work with Methyl 2-amino-5-iodobenzoate
Similar compounds
Ethyl 2-amino-5-iodobenzoate268568-11-267 % similar
Methyl 5-methylanthranilate18595-16-965 % similar
Methyl 2-amino-5-methoxybenzoate2475-80-165 % similar
Methyl 5-hydroxyanthranilate1882-72-063 % similar
Methyl 2-amino-5-fluorobenzoate319-24-463 % similar
Methyl 5-iodosalicylate4068-75-163 % similar
Methyl 2-amino-5-chlorobenzoate5202-89-163 % similar
Methyl 2-amino-5-bromobenzoate52727-57-863 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.