HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 14530245Generated: October 23, 2026
2-Iodoisonicotinic acid
2-Iodoisonicotinicaci · 2-IODO-ISONICOTINIC ACID · 2-Iodopyridine-4-carboxylic ac · 2-Iodo-4-pyridinecarboxylic acid · 2-Iodopyridine-4-carboxylic acid · 4-Pyridinecarboxylic acid, 2-iodo- · 2-iodopyridine-4-carboxylic acid - [K87026] · 2-IODO-ISONICOTINIC ACID ISO 9001：2015 REACH
https://huagongshe.com/en/chemical/14530245
Identifiers & Physical Properties
| CAS No. | 58481-10-0 |
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| Molecular formula | C6H4INO2 |
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| Average molar mass | 249.01 g/mol |
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| Monoisotopic mass | 248.92867637 g/mol |
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| SMILES | O=C(O)c1ccnc(I)c1 |
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| InChIKey | FALCXGCLOUKBSP-UHFFFAOYSA-N |
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| PubChem CID | 14530245 |
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| EC No. | 640-453-7 |
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| DTXSID | DTXSID60561304 |
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Chemical & Physical Properties
| XLogP | 1.1 |
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| Topological polar surface area | 50.2 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 3 |
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| Rotatable bonds | 1 |
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| Heavy atoms | 10 |
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| Formal charge | 0 |
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| Complexity | 140 |
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| Melting point | 210-220°C |
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| Boiling point | 466.5±30.0 °C(Predicted) |
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| Density | 2.123±0.06 g/cm3(Predicted) |
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| Storage conditions | under inert gas (nitrogen or Argon) at 2–8 °C |
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| Physical state | solid |
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| pKa (acidity coefficient) | 3.02±0.10(Predicted) |
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| Appearance | White to light brown Solid |
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| InChI | 1S/C6H4INO2/c7-5-3-4(6(9)10)1-2-8-5/h1-3H,(H,9,10) |
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| InChIKey | FALCXGCLOUKBSP-UHFFFAOYSA-N |
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| SMILES | OC(=O)c1ccnc(I)c1 |
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| UNSPSC Code | 12352100 |
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| NACRES | NA.22 |
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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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| Water hazard class (WGK) | 3 |
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| Hazard class | IRRITANT |
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| Customs code | 2933399990 |
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| Storage class | 11 - Combustible Solids |
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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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| Water hazard class (WGK) | 3 |
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| Customs code | 2933399990 |
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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 class | IRRITANT |
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| Storage class | 11 - Combustible Solids |
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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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