Methyl 2,5-dibromobenzoate
Properties
- Molecular formula
- C8H6Br2O2
- Molar mass
- 293.94 g/mol
- Exact mass
- 291.8735 Da
- Melting point
- 46–48 °C
- logP
- 3.00Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.7% of notifiers
Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
57381-43-8SMILES
COC(=O)c1cc(Br)ccc1BrInChIKey
RBCUIRIGTNHLPS-UHFFFAOYSA-NInChI
InChI=1S/C8H6Br2O2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- Benzoic acid, 2,5-dibromo-, methyl ester
Work with Methyl 2,5-dibromobenzoate
Similar compounds
Methyl 5-bromo-2-methylbenzoate79669-50-469 % similar
Methyl 2-bromo-5-methylbenzoate90971-88-369 % similar
Methyl 5-bromo-2-iodobenzoate181765-86-667 % similar
Methyl 2-bromo-5-chlorobenzoate27007-53-067 % similar
Methyl 2-bromo-5-methoxybenzoate35450-36-367 % similar
5-Bromo-2-hydroxybenzoic acid methyl ester4068-76-267 % similar
Methyl 2-amino-5-bromobenzoate52727-57-867 % similar
Methyl 2-bromo-5-fluorobenzoate6942-39-867 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.