HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 736216Generated: October 23, 2026
4-Thioureidobenzoic acid
RARECHEM AL BO 0444 · 4-Thioureidobenzoicaci · 4-Thioureidobenzoicacid · (4-CARBOXYPHENYL)THIOUREA · 4-(2-thioureido)benzoic acid · 1-(4-CARBOXYPHENY)-2-THIOUREA · 1-(4-CARBOXYPHENYL)-2-THIOUREA · Phenylthiourea-4-carboxylicacid
https://huagongshe.com/en/chemical/736216
Identifiers & Physical Properties
| CAS No. | 7366-56-5 |
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| Molecular formula | C8H8N2O2S |
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| Average molar mass | 196.23 g/mol |
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| Monoisotopic mass | 196.03064868 g/mol |
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| SMILES | NC(=S)Nc1ccc(C(=O)O)cc1 |
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| InChIKey | FOYDMXZTPAEILY-UHFFFAOYSA-N |
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| PubChem CID | 736216 |
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| EC No. | 230-910-5 |
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| DTXSID | DTXSID40223872 |
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Chemical & Physical Properties
| XLogP | 1.3 |
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| Topological polar surface area | 107 |
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| Hydrogen bond donors | 3 |
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| Hydrogen bond acceptors | 3 |
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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 | 255 °C |
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| Boiling point | 394.3±44.0 °C(Predicted) |
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| Density | 1.508±0.06 g/cm3(Predicted) |
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| Storage conditions | 2-8°C(protect from light) |
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| pKa (acidity coefficient) | 4.04±0.10(Predicted) |
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| Appearance | White to off-white Solid |
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| BRN | 2805627 |
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| CAS DataBase Reference | 7366-56-5(CAS DataBase Reference) |
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| FDA UNII | HHU9SXZ44X |
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| GHS pictogram | GHS07 |
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| Signal word | Danger |
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| GHS hazard statements | H302-H315-H319-H335 |
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| GHS precautionary statements | P280h-P305+P351+P338 |
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| Risk statements (R) | 22-36/37/38 |
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| Safety statements (S) | 26-36/37/39 |
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| UN transport number | 2811 |
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| Hazard class | IRRITANT |
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| Packing group | III |
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| Customs code | 29309090 |
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Safety & Regulations
| GHS classification | DangerH301 (88.6%): Toxic if swallowed [Danger Acute toxicity, oral]H315 (11.4%): Causes skin irritation [Warning Skin corrosion/irritation]H317 (88.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]H319 (11.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (11.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
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| Hazard Classes and Categories | Acute Tox. 3 (88.6%)Skin Irrit. 2 (11.4%)Skin Sens. 1 (88.6%)Eye Irrit. 2 (11.4%)STOT SE 3 (11.4%) |
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| UN transport number | 2811 |
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| Customs code | 29309090 |
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| Risk statements (R) | 22-36/37/38 |
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| Signal word | Danger |
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| GHS pictogram | GHS07 |
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| Safety statements (S) | 26-36/37/39 |
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| Hazard class | IRRITANT |
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| Packing group | III |
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| GHS hazard statements | H302-H315-H319-H335 |
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| GHS precautionary statements | P280h-P305+P351+P338 |
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