4-Bromo-2,6-dimethylphenyl isocyanate
5-bromo-2-isocyanato-1,3-dimethylbenzene
Also Known As: 4-Bromo-2,6-dimethylphenyl isocyanate|Fradafiban|5-bromo-2-isocyanato-1,3-dimethylbenzene|4-bromo-2,6-dimethylphenylisocyanate|TQP0291|4-bromo-2,6-dimethylbenzenisocyanate|5-Bromo-2-isocyanato-1,3-dimethyl-benzene|Benzene,5-bromo-2-isocyanato-1,3-dimethyl-|4-Bromo-2,6-dimethylphenyl isocyanate, 98%|5-Bromo-2-isothiocyanato-1,3-dimethylbenzene|Benzene, 5-bromo-2-isocyanato-1,3-dimethyl- (9CI)|I14-48338|622-270-4
CAS: 77159-76-3
| Molecular Formula | C9H8BrNO |
|---|---|
| Molecular Weight | 224.97893 g/mol |
| LogP | 3.03324 |
| Topological Polar Surface Area | 29.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 224.97893 |
| Monoisotopic Mass | 224.97893 |
| Heavy Atoms | 12 |
| Complexity | 330.54132 |
Chemical Identifiers
| CAS Number | 77159-76-3 |
|---|---|
| SMILES | CC1=CC(=CC(=C1N=C=O)C)Br |
Product Overview
4-Bromo-2,6-dimethylphenyl isocyanate (CAS 77159-76-3), with molecular formula C9H8BrNO and molecular weight 224.97893 g/mol. IUPAC: 5-bromo-2-isocyanato-1,3-dimethylbenzene.
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.
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