HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 693264Generated: October 23, 2026
5-Iodo-2-furaldehyde
5-iodofurfural · AKOS BBS-00001897 · 5-Iodofuraldehyde · IFLAB-BB F0848-0343 · 5-iodo-2-furaldehdye · 5-IODO-2-FURALDEHYDE · OTAVA-BB BB7110951013 · 5-Iodo-2-furaldehyde95%
https://huagongshe.com/en/chemical/693264
Identifiers & Physical Properties
| CAS No. | 2689-65-8 |
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| Molecular formula | C5H3IO2 |
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| Average molar mass | 221.98 g/mol |
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| Monoisotopic mass | 221.91777734 g/mol |
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| SMILES | O=Cc1ccc(I)o1 |
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| InChIKey | QPGPCPKDVSPJAY-UHFFFAOYSA-N |
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| PubChem CID | 693264 |
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| ChEMBL | CHEMBL4473041 |
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| EC No. | 625-542-0 |
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| DTXSID | DTXSID60351202 |
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Chemical & Physical Properties
| XLogP | 1 |
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| Topological polar surface area | 30.2 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 2 |
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| Rotatable bonds | 1 |
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| Heavy atoms | 8 |
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| Formal charge | 0 |
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| Complexity | 94.4 |
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| Melting point | 125-128 °C(lit.) |
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| Boiling point | 274.5±25.0 °C(Predicted) |
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| Density | 2.094±0.06 g/cm3(Predicted) |
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| Storage conditions | Refrigerator (+4°C) |
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| Solubility | soluble in Methanol |
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| Physical state | powder to crystal |
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| Color | White to Yellow |
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| Sensitivity | Air & Light Sensitive |
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| BRN | 108406 |
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| InChI | InChI=1S/C5H3IO2/c6-5-2-1-4(3-7)8-5/h1-3H |
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| InChIKey | QPGPCPKDVSPJAY-UHFFFAOYSA-N |
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| SMILES | O1C(I)=CC=C1C=O |
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| CAS DataBase Reference | 2689-65-8(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-P305+P351+P338-P280a-P304+P340-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) | 26-36/37-37/39-36 |
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| Water hazard class (WGK) | 3 |
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| Hazard class | IRRITANT |
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| Customs code | 29329990 |
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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 45 reports by companies from 5 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 | 29329990 |
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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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| Safety statements (S) | 26-36/37-37/39-36 |
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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-P305+P351+P338-P280a-P304+P340-P405-P501a |
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