Introduction：Basic information about 3-Cyanopyridine CAS 100-54-9, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
3-Cyanopyridine Basic information
| Product Name: | 3-Cyanopyridine |
| Synonyms: | NICOTINIC ACID NITRILE;NICOTINONITRILE;NICOTINE ACID NITRILE;SPECS AC-907/25014098;TIMTEC-BB SBB007554;IFLAB-BB F2108-0102;BETA-CYANOPYRIDINE;3-Azabenzonitrile |
| CAS: | 100-54-9 |
| MF: | C6H4N2 |
| MW: | 104.11 |
| EINECS: | 202-863-0 |
| Product Categories: | Pharmaceutical intermediates;Pyridines derivates;Heterocyclic Compounds;bc0001 |
| Mol File: | 100-54-9.mol |
|
3-Cyanopyridine Chemical Properties
| Melting point | 48-52 °C(lit.) |
| Boiling point | 201 °C(lit.) |
| density | 1.159 |
| refractive index | 1.5242 (estimate) |
| Fp | 184 °F |
| storage temp. | Inert atmosphere,Room Temperature |
| solubility | 140g/l |
| form | Crystalline Mass, Crystals or Chunks |
| pka | pK1:1.45(+1) (25°C) |
| color | Colorless or white to yellow |
| Water Solubility | 140 g/L (20 ºC) |
| BRN | 107711 |
| Exposure limits | NIOSH: IDLH 25 mg/m3 |
| Stability: | Incompatible with strong oxidizing agents, strong reducing agents, strong acids, strong bases. |
| InChI | 1S/C6H4N2/c7-4-6-2-1-3-8-5-6/h1-3,5H |
| InChIKey | GZPHSAQLYPIAIN-UHFFFAOYSA-N |
| SMILES | N#Cc1cccnc1 |
| CAS DataBase Reference | 100-54-9(CAS DataBase Reference) |
| NIST Chemistry Reference | 3-Pyridinecarbonitrile(100-54-9) |
| EPA Substance Registry System | 3-Pyridinecarbonitrile (100-54-9) |
Safety Information
| Hazard Codes | Xn |
| Risk Statements | 22-36/37/38 |
| Safety Statements | 22-24/25-36/37/39-26 |
| WGK Germany | 3 |
| RTECS | QT3030000 |
| TSCA | TSCA listed |
| HS Code | 29333999 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral
Eye Dam. 1
Skin Irrit. 2 |
| Hazardous Substances Data | 100-54-9(Hazardous Substances Data) |
3-Cyanopyridine Usage And Synthesis
| Chemical Properties | white to beige solid |
| Chemical Properties | The cyanopyridines are as follows: 2-cyano-:A white to tan liquid or solid. Almond odor. Boilingpoint=2213℃ ; freezing/melting point=27℃ ; flashpoint=89℃ . 3-cyano-: a colorless liquid or gray crystal-line solid. |
| Uses | 3-Cyanopyridine is used in the preparation of arylthiazolines and arylimidazolines via dibromodimethylhydantoin-catalyzed condensation of aryl nitriles with ethylene diamine or aminoethanethiol. |
| Definition | ChEBI: A nitrile that is pyridine substituted by a cyano group at position 3. |
| Synthesis Reference(s) | Tetrahedron Letters, 29, p. 2155, 1988 DOI: 10.1016/S0040-4039(00)86697-6 |
| Potential Exposure | Limits in AirNIOSH IDLH525 mg/m3NIOSH REL: (nitriles) 2 ppm, Ceiling Concentration, notto be exceeded in any 15-minute work period. |
| Shipping | UN3276 Nitriles, liquid, toxic, n.o.s., HazardClass: 6.1; Labels: 6.1-Poisonous materials, TechnicalName Required, Potential Inhalation Hazard (SpecialProvision 5). |
| Purification Methods | It is recrystallised to constant melting point from o-xylene/hexane. [Beilstein 22/2 V 115.] |
| Incompatibilities | Oxidizing agents, such as perchlorates,peroxides, and permanganates. Nitriles may polymerize inthe presence of metals and some metal compounds. Theyare incompatible with acids; mixing nitriles with strongoxidizing acids can lead to extremely violent reactions.Nitriles are generally incompatible with other oxidizingagents such as peroxides and epoxides. The combination ofbases and nitriles can produce hydrogen cyanide. Nitrilesare hydrolyzed in both aqueous acid and base to give car-boxylic acids (or salts of carboxylic acids). These reactionsgenerate heat. Peroxides convert nitriles to amides. Nitrilescan react vigorously with reducing agents. Acetonitrile andpropionitrile are soluble in water, but nitriles higher thanpropionitrile have low aqueous solubility. They are alsoinsoluble in aqueous acids. |
| Toxics Screening Level | The Initial Threshold Screening Level (ITSL) for 3-cyanopyridine (also known as nicotinonitrile) is 1.5 μg/m3 with annual averaging time. |
3-Cyanopyridine Preparation Products And Raw materials
| Raw materials | 4-Chlorobenzaldehyde-->Nicotinamide-->N-PHENYL-1-NAPHTHYLAMINE HYDROBROMIDE |
| Preparation Products | Nicotinic acid-->Nicotinamide-->3-(AMINOMETHYL)PYRIDINE-->2-(3-PYRIDYL)-1,3-THIAZOLE-4-CARBOXYLIC ACID-->2-chloro-5-cyanopyridine-->3-Pyridinecarboxaldehyde-->2-(2-PYRIDINYL)-4-(TRIFLUOROMETHYL)-5-PYRIMIDINECARBOXYLIC ACID-->3-AMINOMETHYL-PYRIDINE-2-CARBOXYLIC ACID-->3-AMIDINOPYRIDINIUM CHLORIDE-->ETHYL 4-(TRIFLUOROMETHYL)-2-(PYRIDIN-2-YL)PYRIMIDINE-5-CARBOXYLATE-->3-(TERT-BUTOXYCARBONYLAMINO-METHYL)-PYRIDINE-2-CARBOXYLIC ACID-->3,3'-DIPICOLYLAMINE-->3-PYRIDINECARBOXAMIDINE-->3-CYANOPYRIDIN-4-YLBORONIC ACID-->3-[(N-(TERT-BUTYLOXYCARBONYL)AMINO)METHYL]PYRIDINE-->3-(Aminomethyl)pyridine-->3-PYRIDYLAMIDOXIME-->Methyl 2-(3-cyanopyridin-4-yl)acetate-->3-Pyridinemethanol-->Benzyltriphenylphosphonium chloride |
