ChemicalBook--->CAS DataBase List--->100-54-9

100-54-9

100-54-9 Structure

100-54-9 Structure
IdentificationMore
[Name]

3-Cyanopyridine
[CAS]

100-54-9
[Synonyms]

3-CYANOPYRIDINE
3-PYRIDINECARBONITRILE
AKOS BBS-00004487
BETA-CYANOPYRIDINE
IFLAB-BB F2108-0102
NICOTINE ACID NITRILE
NICOTINIC ACID NITRILE
NICOTINONITRILE
SPECS AC-907/25014098
TIMTEC-BB SBB007554
3-Azabenzonitrile
3-Cyjanopirydyna
3-pyridinecarboxylicacid,nitrile
3-Pyridinenitrile
3-Pyridyl cyanide
3-Pyridylcarbonitrile
b-Cyanopyridine
Nitryl kwasu nikotynowego
nitrylkwasunikotynowego
Pyridine-3-carbonitrile
[EINECS(EC#)]

202-863-0
[Molecular Formula]

C6H4N2
[MDL Number]

MFCD00006372
[Molecular Weight]

104.11
[MOL File]

100-54-9.mol
Chemical PropertiesBack Directory
[Appearance]

The cyanopyridines are as follows: 2-cyano-: A white to tan liquid or solid. Almond odor. Boiling point=2213℃ ; freezing/melting point=27℃ ; flash point=89℃ . 3-cyano-: a colorless liquid or gray crystal- line solid.
[Melting point ]

48-52 °C(lit.)
[mp ]

48-52 °C(lit.)
[Boiling point ]

201 °C(lit.)
[bp ]

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
[Stability:]

Incompatible with strong oxidizing agents, strong reducing agents, strong acids, strong bases.
[Water Solubility ]

140 g/L (20 ºC)
[Detection Methods]

HPLC
[BRN ]

107711
[InChIKey]

GZPHSAQLYPIAIN-UHFFFAOYSA-N
[CAS DataBase Reference]

100-54-9(CAS DataBase Reference)
[NIST Chemistry Reference]

3-Pyridinecarbonitrile(100-54-9)
[EPA Substance Registry System]

100-54-9(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ]

3
[RTECS ]

QT3030000
[TSCA ]

Yes
[HS Code ]

29333999
[Hazardous Substances Data]

100-54-9(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

4-Chlorobenzaldehyde-->Nicotinamide-->N-PHENYL-1-NAPHTHYLAMINE HYDROBROMIDE, 98
[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
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3-Cyanopyridine(100-54-9).msds
Hazard InformationBack Directory
[Potential Exposure]

Limits in Air NIOSH IDLH525 mg/m3 NIOSH REL: (nitriles) 2 ppm, Ceiling Concentration, not to be exceeded in any 15-minute work period.
[First aid]

If this chemical gets into the eyes, remove any contact lenses at once and irrigate immediately for at least 15 minutes, occasionally lifting upper and lower lids. Seek Medical attention immediately. If this chemical contacts the skin, remove contaminated clothing and wash immediately with soap and water. Seek medical attention immediately. If this chemical has been inhaled, remove from exposure, begin rescue breathing (using universal precautions, including resuscitation mask) if breathing has stopped and CPR if heart action has stopped. Transfer promptly to a medical facility. When this chemical has been swallowed, get medi- cal attention. Give large quantities of water and induce vomiting. Do not make an unconscious person vomit.
[Shipping]

UN3276 Nitriles, liquid, toxic, n.o.s., Hazard Class: 6.1; Labels: 6.1-Poisonous materials, Technical Name Required, Potential Inhalation Hazard (Special Provision 5).
[Incompatibilities]

Oxidizing agents, such as perchlorates, peroxides, and permanganates. Nitriles may polymerize in the presence of metals and some metal compounds. They are incompatible with acids; mixing nitriles with strong oxidizing acids can lead to extremely violent reactions. Nitriles are generally incompatible with other oxidizing agents such as peroxides and epoxides. The combination of bases and nitriles can produce hydrogen cyanide. Nitriles are hydrolyzed in both aqueous acid and base to give car- boxylic acids (or salts of carboxylic acids). These reactions generate heat. Peroxides convert nitriles to amides. Nitriles can react vigorously with reducing agents. Acetonitrile and propionitrile are soluble in water, but nitriles higher than propionitrile have low aqueous solubility. They are also insoluble in aqueous acids .
[Chemical Properties]

white to beige solid
[Chemical Properties]

The cyanopyridines are as follows: 2-cyano-: A white to tan liquid or solid. Almond odor. Boiling point=2213℃ ; freezing/melting point=27℃ ; flash point=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
[Purification Methods]

It is recrystallised to constant melting point from o-xylene/hexane. [Beilstein 22/2 V 115.]
Spectrum DetailBack Directory
[Spectrum Detail]

3-Cyanopyridine(100-54-9)MS
3-Cyanopyridine(100-54-9)1HNMR
3-Cyanopyridine(100-54-9)13CNMR
3-Cyanopyridine(100-54-9)IR1
3-Cyanopyridine(100-54-9)IR2
3-Cyanopyridine(100-54-9)IR3
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Cyanopyridine, 98%(100-54-9)
[Alfa Aesar]

3-Cyanopyridine, 98%(100-54-9)
[Sigma Aldrich]

100-54-9(sigmaaldrich)
[TCI AMERICA]

3-Cyanopyridine,>98.0%(GC)(100-54-9)
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