HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 58817543Generated: October 30, 2026
6-Bromo-3-methyl-1,2-benzothiazole
6-bromo-3-methylbenzo[d]isothiazole · 6-Bromo-3-methyl-1,2-benzisothiazole · 1,2-Benzisothiazole, 6-bromo-3-methyl-
https://huagongshe.com/en/chemical/58817543
Identifiers & Physical Properties
| CAS No. | 1517038-47-9 |
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| Molecular formula | C8H6BrNS |
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| Average molar mass | 228.11 g/mol |
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| Monoisotopic mass | 226.94043 g/mol |
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| SMILES | Cc1nsc2cc(Br)ccc12 |
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| InChIKey | FFYLYYLLEGTSGQ-UHFFFAOYSA-N |
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| PubChem CID | 58817543 |
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| EC No. | 849-580-4 |
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Chemical & Physical Properties
| XLogP | 3.4 |
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| Topological polar surface area | 41.1 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 2 |
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| Rotatable bonds | 0 |
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| Heavy atoms | 11 |
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| Formal charge | 0 |
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| Complexity | 153 |
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| Boiling point | 228.9±22.0 °C(Predicted) |
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| Density | 1.644±0.06 g/cm3(Predicted) |
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| pKa (acidity coefficient) | 4.81±0.50(Predicted) |
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| GHS pictogram | GHS07 |
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| Signal word | Warning |
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| GHS hazard statements | H319-H315-H302-H335 |
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| GHS precautionary statements | P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501 |
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Safety & Regulations
| GHS classification | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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| Signal word | Warning |
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| GHS pictogram | GHS07 |
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| GHS hazard statements | H319-H315-H302-H335 |
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| GHS precautionary statements | P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501 |
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