HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 696381Generated: October 23, 2026
Methyl 2,1,3-benzothiadiazole-5-carboxylate
BUTTPARK 33\04-31 · RARECHEM AL BF 1094 · 5-Bromo-212-fluorobenzylamine&hydrochloride · METHYL 2,1,3-BENZOTHIADIAZOLE-5-CARBOXYLATE · METHYL BENZO-2,1,3-THIADIZOLE-5-CARBOXYLATE · METHYL BENZO-2,1,3-THIADIAZOLE-5-CARBOXYLATE · 2,1,3-benzothiadiazole-5-carboxylic acid methyl ester · BENZO-2,1,3-THIADIAZOLE-5-CARBOXYLIC ACID METHYL ESTER
https://huagongshe.com/en/chemical/696381
Identifiers & Physical Properties
| CAS No. | 175204-21-4 |
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| Molecular formula | C8H6N2O2S |
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| Average molar mass | 194.21 g/mol |
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| Monoisotopic mass | 194.01499843 g/mol |
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| SMILES | COC(=O)c1ccc2nsnc2c1 |
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| InChIKey | LRMFSMKHXKDUDG-UHFFFAOYSA-N |
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| PubChem CID | 696381 |
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| EC No. | 673-062-5 |
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| DTXSID | DTXSID30351299 |
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Chemical & Physical Properties
| XLogP | 1.6 |
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| Topological polar surface area | 80.3 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 5 |
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| Rotatable bonds | 2 |
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| Heavy atoms | 13 |
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| Formal charge | 0 |
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| Complexity | 212 |
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| Melting point | 90-92°C |
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| Boiling point | 292.1±13.0 °C(Predicted) |
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| Density | 1.413±0.06 g/cm3(Predicted) |
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| Storage conditions | Storage temp. 2-8°C |
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| pKa (acidity coefficient) | -0.85±0.36(Predicted) |
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| Appearance | Light yellow to light brown Solid |
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| CAS DataBase Reference | 175204-21-4(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 |
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| Safety statements (S) | 26-37 |
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| Hazard Note | 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 5 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 |
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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) | 26-37 |
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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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