Methyl 3,5-dibromosalicylate
Properties
- Molecular formula
- C8H6Br2O3
- Molar mass
- 309.94 g/mol
- Exact mass
- 307.8684 Da
- Melting point
- 155 °C
- logP
- 2.70Crippen estimate
- Polar surface area
- 46.5 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 1
Hazards
Danger
- H301 Toxic if swallowed20% of notifiers
- H315 Causes skin irritation80% of notifiers
- H319 Causes serious eye irritation80% of notifiers
- H335 May cause respiratory irritation80% of notifiers
Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
21702-79-4SMILES
COC(=O)c1cc(Br)cc(Br)c1OInChIKey
KISQISIKTRRMOX-UHFFFAOYSA-NInChI
InChI=1S/C8H6Br2O3/c1-13-8(12)5-2-4(9)3-6(10)7(5)11/h2-3,11H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- Benzoic acid, 3,5-dibromo-2-hydroxy-, methyl ester
- Salicylic acid, 3,5-dibromo-, methyl ester
- Methyl 3,5-dibromo-2-hydroxybenzoate
- 3,5-Dibromo-2-hydroxy-benzoic acid methyl ester
Work with Methyl 3,5-dibromosalicylate
Similar compounds
Methyl 2-amino-3,5-dibromobenzoate606-00-866 % similar
Methyl 3-bromo-2-hydroxybenzoate28165-45-962 % similar
Methyl 2,5-dibromobenzoate57381-43-862 % similar
3',5'-Dibromo-2'-hydroxyacetophenone22362-66-959 % similar
3,5-Dibromosalicylic acid3147-55-559 % similar
5-Bromo-2-hydroxybenzoic acid methyl ester4068-76-259 % similar
Methyl 5-bromo-3-hydroxybenzoate192810-12-158 % similar
Methyl 3,5-dibromobenzoate51329-15-854 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.