Methyl 3-bromo-2-(bromomethyl)benzoate
Properties
- Molecular formula
- C9H8Br2O2
- Molar mass
- 307.97 g/mol
- Exact mass
- 305.8891 Da
- logP
- 3.13Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Hazards
Danger
- H314 Causes severe skin burns and eye damage100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, P501
Identifiers
CAS number
337536-14-8SMILES
COC(=O)C1=C(C(=CC=C1)Br)CBrInChIKey
WMILMIDBWBQPAB-UHFFFAOYSA-NInChI
InChI=1S/C9H8Br2O2/c1-13-9(12)6-3-2-4-8(11)7(6)5-10/h2-4H,5H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- Methyl 3-bromo-2-bromomethylbenzoate
Work with Methyl 3-bromo-2-(bromomethyl)benzoate
Similar compounds
Methyl 2-bromobenzoate610-94-663 % similar
2-(Bromomethyl)-3-nitrobenzoic acid methyl ester98475-07-161 % similar
Methyl 2-(bromomethyl)benzoate2417-73-461 % similar
Methyl 3-bromo-2-hydroxybenzoate28165-45-961 % similar
3-Bromo-2-methyl-benzoic acid methyl ester99548-54-661 % similar
Methyl 3-bromo-2-fluorobenzoate206551-41-959 % similar
Dimethyl phthalate131-11-353 % similar
Methyl 4'-(bromomethyl)biphenyl-2-carboxylate114772-38-252 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.