4-Bromobenzoyl isothiocyanate
4-bromobenzoyl isothiocyanate
Also Known As: 4-bromobenzoyl isothiocyanate|p-bromobenzoylisothiocyanate|4-Brom-benzoylisothiocyanat|4-bromobenzoylisothiocyanate|4-bromobenzoyl-isothiocyanate|4-bromo-N-(sulfanylidenemethylidene)benzamide|4-Bromo-1-benzenecarbonyl isothiocyanate|J1.662.473J|862-644-6
CAS: 66090-34-4
| Molecular Formula | C8H4BrNOS |
|---|---|
| Molecular Weight | 240.9197 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 61.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 240.9197 |
| Monoisotopic Mass | 240.9197 |
| Heavy Atoms | 12 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 66090-34-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)N=C=S)Br |
| InChIKey | UQIQCOFQWXQZRI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Heterocyclic Building Blocks (6 patents)
Pharmaceutical Intermediates (12 patents)
Product Overview
4-Bromobenzoyl isothiocyanate (CAS 66090-34-4), with molecular formula C8H4BrNOS and molecular weight 240.9197 g/mol. IUPAC: 4-bromobenzoyl isothiocyanate.
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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