HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 11470946Generated: November 2, 2026
2-Iodobenzothiophene
2-IODO-1-BENZOTHIOPHENE · 2-IODO-BENZO[B]THIOPHENE · 2-Iodobenzothiophene 97% · Benzo[b]?thiophene, 2-?iodo- · 5-fluoro-2-iodo-1-benzothiophene · 2-IODO-BENZO[B]THIOPHENE ISO 9001：2015 REACH
https://huagongshe.com/en/chemical/11470946
Identifiers & Physical Properties
| CAS No. | 36748-89-7 |
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| Molecular formula | C8H5IS |
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| Average molar mass | 260.1 g/mol |
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| Monoisotopic mass | 259.91567 g/mol |
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| SMILES | Ic1cc2ccccc2s1 |
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| InChIKey | XNCFWDHWACGQBN-UHFFFAOYSA-N |
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| PubChem CID | 11470946 |
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| ChEMBL | CHEMBL611628 |
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| EC No. | 803-592-6 |
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| DTXSID | DTXSID20466982 |
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Chemical & Physical Properties
| XLogP | 3.6 |
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| Topological polar surface area | 28.2 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 1 |
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| Rotatable bonds | 0 |
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| Heavy atoms | 10 |
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| Formal charge | 0 |
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| Complexity | 126 |
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| Melting point | 58-63°C |
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| Boiling point | 119-120 °C(Press: 1.6 Torr) |
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| Density | 1.925±0.06 g/cm3(Predicted) |
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| Storage conditions | 2-8°C |
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| Physical state | solid |
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| Appearance | Light brown to brown Solid |
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| InChI | 1S/C8H5IS/c9-8-5-6-3-1-2-4-7(6)10-8/h1-5H |
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| InChIKey | XNCFWDHWACGQBN-UHFFFAOYSA-N |
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| SMILES | Ic1cc2ccccc2s1 |
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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 | H302-H319 |
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| GHS precautionary statements | P264-P270-P280-P301+P312-P305+P351+P338-P337+P313 |
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| Hazard symbols | Xn |
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| Risk statements (R) | 22 |
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| Safety statements (S) | 26-24/25 |
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| Water hazard class (WGK) | 3 |
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| Customs code | 29349990 |
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| Storage class | 11 - Combustible Solids |
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| Hazard class | Acute Tox. 4 OralEye Irrit. 2 |
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Safety & Regulations
| GHS classification | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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| Water hazard class (WGK) | 3 |
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| Customs code | 29349990 |
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| Risk statements (R) | 22 |
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| Signal word | Warning |
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| GHS pictogram | GHS07 |
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| Hazard symbols | Xn |
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| Safety statements (S) | 26-24/25 |
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| Storage class | 11 - Combustible Solids |
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| GHS hazard statements | H302-H319 |
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| Hazard class | Acute Tox. 4 OralEye Irrit. 2 |
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| GHS precautionary statements | P264-P270-P280-P301+P312-P305+P351+P338-P337+P313 |
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