HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 697607Generated: November 2, 2026
3-(1H-pyrrol-1-ylmethyl)pyridine
TIMTEC-BB SBB003989 · 1-(3-PYRIDYLMETHYL)PYRROLE · N-(PYRID-3-YLMETHYL)PYRROLE · 3-(1-Pyrrolylmethyl)pyridine · 3-(PYRROL-1-YLMETHYL)PYRIDINE · 1-(3-Pyridylmethyl)-1H-pyrrole · 3-(1-Pyrrolylmethyl)pyridine>3-(1H-PYRROL-1-YLMETHYL)PYRIDINE · Pyridine,3-(1H-pyrrol-1-ylmethyl)-
https://huagongshe.com/en/chemical/697607
Identifiers & Physical Properties
| CAS No. | 80866-95-1 |
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| Molecular formula | C10H10N2 |
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| Average molar mass | 158.2 g/mol |
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| Monoisotopic mass | 158.08439833 g/mol |
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| SMILES | c1cncc(Cn2cccc2)c1 |
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| InChIKey | PJVWPGGKILHMKW-UHFFFAOYSA-N |
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| PubChem CID | 697607 |
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| EC No. | 279-598-2 |
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| DTXSID | DTXSID80230762 |
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Chemical & Physical Properties
| XLogP | 1.2 |
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| Topological polar surface area | 17.8 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 1 |
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| Rotatable bonds | 2 |
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| Heavy atoms | 12 |
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| Formal charge | 0 |
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| Complexity | 130 |
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| Melting point | 59-64 °C(lit.) |
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| Boiling point | 273.29°C (rough estimate) |
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| Density | 1.1192 (rough estimate) |
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| Refractive index | 1.6392 (estimate) |
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| Storage conditions | Inert atmosphere,Room Temperature |
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| Solubility | soluble in Methanol |
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| Physical state | powder to crystal |
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| pKa (acidity coefficient) | 4.23±0.10(Predicted) |
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| Color | White to Light yellow to Light orange |
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| CAS DataBase Reference | 80866-95-1(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 |
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| Hazard symbols | Xi |
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| Risk statements (R) | 36/37/38 |
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| Safety statements (S) | 26-37/39 |
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| Water hazard class (WGK) | 3 |
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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 41 reports by companies from 4 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) | 26-37/39 |
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| GHS hazard statements | H315-H319-H335 |
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| GHS precautionary statements | P261-P305+P351+P338 |
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