HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 602011Generated: October 23, 2026
2,1,3-Benzothiadiazole-5-carboxylic acid
benzo[c][1,2,5]thiadiazole-5-carboxylic acid · BUTTPARK 46\04-59 · RARECHEM AL BE 1094 · TIMTEC-BB SBB007390 · 2,1,3-BENZOTHIADIAZOLE-5-CARBOXYLIC ACID · 1,2,3-BENZOTHIADIAZOLE-5-CARBOXYLIC ACID · BENZO[1,2,5]THIADIAZOLE-5-CARBOXYLIC ACID · BENZO-1,2,3-THIADIAZOLE-5-CARBOXYLIC ACID
https://huagongshe.com/en/chemical/602011
Identifiers & Physical Properties
| CAS No. | 16405-98-4 |
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| Molecular formula | C7H4N2O2S |
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| Average molar mass | 180.19 g/mol |
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| Monoisotopic mass | 179.99934837 g/mol |
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| SMILES | O=C(O)c1ccc2nsnc2c1 |
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| InChIKey | YHMXJZVGBCACMT-UHFFFAOYSA-N |
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| PubChem CID | 602011 |
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| EC No. | 672-956-2 |
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| DTXSID | DTXSID80345128 |
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Chemical & Physical Properties
| XLogP | 1.3 |
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| Topological polar surface area | 91.3 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 5 |
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| Rotatable bonds | 1 |
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| Heavy atoms | 12 |
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| Formal charge | 0 |
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| Complexity | 200 |
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| Melting point | 229 °C |
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| Boiling point | 368.7±15.0 °C(Predicted) |
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| Density | 1.608±0.06 g/cm3(Predicted) |
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| Storage conditions | Store at room temperature |
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| pKa (acidity coefficient) | 3.16±0.30(Predicted) |
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| Appearance | Light brown to brown Solid |
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| CAS DataBase Reference | 16405-98-4(CAS DataBase Reference) |
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| GHS pictogram | GHS07 |
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| Signal word | Warning |
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| GHS hazard statements | H315-H319-H335 |
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| GHS precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a |
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| Hazard symbols | Xi |
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| Risk statements (R) | 36/37/38-41-37/38 |
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| Safety statements (S) | 26-36/37/39-24/25-39 |
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| Hazard class | IRRITANT |
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| Customs code | 2934999090 |
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Safety & Regulations
| GHS classification | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 | Skin Irrit. 2 (100%) |
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| Customs code | 2934999090 |
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| Risk statements (R) | 36/37/38-41-37/38 |
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| Signal word | Warning |
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| GHS pictogram | GHS07 |
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| Hazard symbols | Xi |
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| Safety statements (S) | 26-36/37/39-24/25-39 |
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| Hazard class | IRRITANT |
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| GHS hazard statements | H315-H319-H335 |
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| GHS precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a |
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