3,5-Bis(bromomethyl)benzoate
3,5-bis(bromomethyl)benzoic acid
Also Known As: 3,5-bis(bromomethyl)benzoic acid|3,5-bis(bromomethyl)benzoate|3,5-bis(bromomethyl)benzoicacid|Benzoic acid,3,5-bis(bromomethyl)-
CAS: 94111-75-8
| Molecular Formula | C9H8Br2O2 |
|---|---|
| Molecular Weight | 305.8891 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 305.8891 |
| Monoisotopic Mass | 305.8891 |
| Heavy Atoms | 13 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 94111-75-8 |
|---|---|
| SMILES | C1=C(C=C(C=C1CBr)C(=O)O)CBr |
| InChIKey | RZTUPNXWTOBHSY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Biotechnology (3 patents)
Catalysts (1 patents)
Heterocyclic Building Blocks (12 patents)
Organic Building Blocks (11 patents)
Organometallic Reagents (5 patents)
Peptides & Amino Acids (1 patents)
Product Overview
3,5-Bis(bromomethyl)benzoate (CAS 94111-75-8), with molecular formula C9H8Br2O2 and molecular weight 305.8891 g/mol. IUPAC: 3,5-bis(bromomethyl)benzoic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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