HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 694Generated: October 27, 2026
3-Pyridine aldoxime
Nicotinaldoxime · 3-Pyridinealdoxime · TIMTEC-BB SBB004285 · PYRIDINE-3-ALDOXIME · 3-formyl-pyridinoxime · NICOTINALDEHYDE OXIME · 3-PYRIDINEALDOXIME 98% · 3-Pyridinealdoxime,98%
https://huagongshe.com/en/chemical/694
Identifiers & Physical Properties
| CAS No. | 1193-92-6 |
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| Molecular formula | C6H6N2O |
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| Average molar mass | 122.12 g/mol |
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| Monoisotopic mass | 122.04801281 g/mol |
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| SMILES | ON=Cc1cccnc1 |
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| InChIKey | YBKOPFQCLSPTPV-UHFFFAOYSA-N |
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| PubChem CID | 694 |
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| ChEBI | CHEBI:86555 |
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| DTXSID | DTXSID30922928 |
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Chemical & Physical Properties
| XLogP | 0.6 |
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| Topological polar surface area | 45.5 |
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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 | 9 |
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| Formal charge | 0 |
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| Complexity | 103 |
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| Melting point | 150-153 °C (lit.) |
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| Boiling point | 227.52°C (rough estimate) |
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| Density | 1.2236 (rough estimate) |
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| Refractive index | 1.5350 (estimate) |
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| Storage conditions | Storage temp. 2-8°C |
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| pKa (acidity coefficient) | pK1:4.07(+1)pK2:10.39(0) (25°C) |
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| Physical state | powder |
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| Appearance | White to off-white Solid |
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| InChI | 1S/C6H6N2O/c9-8-5-6-2-1-3-7-4-6/h1-5,9H/b8-5+ |
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| InChIKey | YBKOPFQCLSPTPV-VMPITWQZSA-N |
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| SMILES | [H]\C(=N/O)c1cccnc1 |
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| CAS DataBase Reference | 1193-92-6(CAS DataBase Reference) |
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| EWG's Food Scores | 1 |
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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+H312+H332-H315-H319-H335 |
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| GHS precautionary statements | P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338 |
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| Target organs | Respiratory system |
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| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
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| Hazard symbols | Xn |
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| Risk statements (R) | 20/21/22-36/37/38 |
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| Safety statements (S) | 26-36 |
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| Water hazard class (WGK) | 3 |
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| RTECS number | UT4060000 |
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| Hazard class | IRRITANTAcute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
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| Customs code | 29333999 |
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| Storage class | 11 - Combustible Solids |
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| Toxicity | mouse,LD50,intraperitoneal,200mg/kg (200mg/kg),National Technical Information Service. Vol. AD691-490, |
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Safety & Regulations
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
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| Water hazard class (WGK) | 3 |
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| RTECS number | UT4060000 |
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| Customs code | 29333999 |
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| Toxicity | mouse,LD50,intraperitoneal,200mg/kg (200mg/kg),National Technical Information Service. Vol. AD691-490, |
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| Risk statements (R) | 20/21/22-36/37/38 |
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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) | 26-36 |
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| Hazard class | IRRITANTAcute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
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| Storage class | 11 - Combustible Solids |
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| Target organs | Respiratory system |
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| GHS hazard statements | H302+H312+H332-H315-H319-H335 |
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| GHS precautionary statements | P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338 |
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