HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 2735458Generated: October 23, 2026
1,2,3-Benzothiadiazole-5-carboxylic acid
1,2,3-Benzothiazole-5-carboxylic acid · Foramsulfuron Impurity 1(nicosulfuron) · 1,2,3-BENZOTHIADIAZOLE-5-CARBOXYLIC ACID · BENZO-1,2,3-THIADIAZOLE-5-CARBOXYLIC ACID · 5-Carboxy-1,2,3-benzothiadiazole, Benzo[d][1,2,3]thiadiazole-5-carboxylic acid
https://huagongshe.com/en/chemical/2735458
Identifiers & Physical Properties
| CAS No. | 192948-09-7 |
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| Molecular formula | C7H4N2O2S |
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| Average molar mass | 180.19 g/mol |
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| Monoisotopic mass | 179.99934855 g/mol |
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| SMILES | O=C(O)c1ccc2snnc2c1 |
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| InChIKey | OUIALVLMUYKKKS-UHFFFAOYSA-N |
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| PubChem CID | 2735458 |
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| EC No. | 811-176-0 |
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| DTXSID | DTXSID60370736 |
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Chemical & Physical Properties
| XLogP | 1.4 |
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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 | 221-225°C |
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| Boiling point | 385.2±34.0 °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) | 3.21±0.30(Predicted) |
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| Appearance | Off-white to light brown Solid |
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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 | P271-P261-P280 |
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| Hazard symbols | Xi |
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| Safety statements (S) | 24/25 |
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| Hazard Note | Irritant |
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| Customs code | 2934999090 |
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Safety & Regulations
| GHS classification | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%) |
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| Customs code | 2934999090 |
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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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| hazard_note | Irritant |
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| Safety statements (S) | 24/25 |
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| GHS hazard statements | H315-H319-H335 |
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| GHS precautionary statements | P271-P261-P280 |
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