Methyl 4-iodo-3-methylbenzoate
Properties
- Molecular formula
- C9H9IO2
- Molar mass
- 276.07 g/mol
- Exact mass
- 275.9647 Da
- logP
- 2.39Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Danger
- H301 Toxic if swallowed16.7% of notifiers
- H311 Toxic in contact with skin16.7% of notifiers
- H315 Causes skin irritation83.3% of notifiers
- H319 Causes serious eye irritation83.3% of notifiers
- H331 Toxic if inhaled16.7% of notifiers
- H335 May cause respiratory irritation83.3% of notifiers
Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
5471-81-8SMILES
CC1=C(C=CC(=C1)C(=O)OC)IInChIKey
HCSGWQGKCVQIRM-UHFFFAOYSA-NInChI
InChI=1S/C9H9IO2/c1-6-5-7(9(11)12-2)3-4-8(6)10/h3-5H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Work with Methyl 4-iodo-3-methylbenzoate
Similar compounds
Methyl 3,4-dimethylbenzoate38404-42-172 % similar
3-Bromo-4-iodobenzoic acid methyl ester249647-24-369 % similar
Methyl 3-hydroxy-4-iodobenzoate157942-12-667 % similar
Methyl 3-amino-4-iodobenzoate412947-54-767 % similar
4-Chloro-3-methylbenzoic acid methyl ester91367-05-466 % similar
Methyl 4-bromo-3-methylbenzoate148547-19-764 % similar
Methyl 4-amino-3-methylbenzoate18595-14-764 % similar
Methyl 4-amino-3-iodobenzoate19718-49-162 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.