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3-Cyanopyridine · CAS 100-54-9 · C6H4N2. UNII X64V0K6260. Boiling Point: 206.9 °C; Melting Point: 51 °C; Flash Point: 87 °C.
| CAS Registry Number | 100-54-9 |
|---|---|
| PubChem CID | 79 |
| Molecular formula | C6H4N2 |
| IUPAC name | pyridine-3-carbonitrile |
| UNII (FDA) | X64V0K6260 |
| Molecular Weight | 104.11 |
|---|---|
| XLogP3 | 0.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 104.037448136 |
| Monoisotopic Mass | 104.037448136 |
| Topological Polar Surface Area | 36.7 |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Boiling Point | 206.9 °C |
|---|---|
| Melting Point | 51 °C |
| Flash Point | 87 °C |
| Solubility | In water, 1.35X10+5 mg/l @ 20 °C |
| Density | 1.1590 @ 25 °C |
| Vapor Pressure | 0.29 [mmHg] |
| Vapor Pressure | 0.296 mm Hg @ 25 °C |
| LogP | log Kow = 0.36 |
| LogP | 0.36 |
| Reported hazard statements | H302 (100%), H315 (60%), H318 (42.4%), H319 (57.6%), H335 (54.1%), H371, H373 |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (60%): Causes skin irritation [Warning Skin corrosion/irritation]
3-cyanopyridine; Nicotinonitrile; 100-54-9; 3-PYRIDINECARBONITRILE; Nicotinic acid nitrile; 3-Pyridinenitrile; 3-Pyridylcarbonitrile; 3-Azabenzonitrile; Nitryl kwasu nikotynowego; DTXSID1026665; 3-Pyridinecarboxylic acid, nitrile; NSC-17558; CHEBI:86556; X64V0K6260; DTXCID606665; RefChem:505106
CAS 100-54-9; molecular formula C6H4N2; molecular weight — g/mol.
3-cyanopyridine, Nicotinonitrile, 100-54-9, 3-PYRIDINECARBONITRILE, Nicotinic acid nitrile, 3-Pyridinenitrile.
Hazard statements reported: H302, H315, H318, H319, H335.
Boiling Point: 206.9 °C; Melting Point: 51 °C; Flash Point: 87 °C; Solubility: In water, 1.35X10+5 mg/l @ 20 °C.
Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.