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.)
[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
[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
[Henry's Law Constant]

3.6×101 mol/(m3Pa) at 25℃, Abraham et al. (1994)
[Exposure limits]

NIOSH: IDLH 25 mg/m3
[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]

100-54-9(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Exclamation Mark (GHS07)
GHS05,GHS07
[Signal word ]

Danger
[Hazard statements ]

H302-H315-H318
[Precautionary statements ]

P264-P270-P280-P301+P312-P302+P352-P305+P351+P338
[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
[REACH Registrations]

Active
[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)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

4-Chlorobenzaldehyde-->Nicotinamide-->N-Phenyl-1-naphthylamine hydrobromide
[Preparation Products]

Nicotinic acid-->Nicotinamide-->3-[(Methylamino)methyl]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]

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.
[Chemical Properties]

white to beige 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.]
[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.
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
3-Cyanopyridine(100-54-9)Raman
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)
100-54-9 suppliers list
Company Name: Pand (Shanghai) international trade Co., LTD  Gold
Telephone: 80159919 18662931292
Website: www.iepanda.com/
Company Name: Nantong Runfeng Petrochemical Co., Ltd  Gold
Telephone: 66814565 18912298907
Website: www.rfsyhg.com/
Company Name: Changzhou Yuxiang Chemical Co., Ltd  Gold
Telephone: 13809076511
Website: http://www.sanjingchem.com
Company Name: Quzhou Rundong Chemical (Technology) Co.  Gold
Telephone: 0570-8789886 18892685668
Website: http://www.rundongchemical.com
Company Name: WUHAN JIXINYIBANG BIOTECHNOLOGY .,LTD  Gold
Telephone: 59768661 13297943853
Website: www.jxybchem.com/
Company Name: Zhongsu Supply Chain Management (Shandong) Co.,Ltd.  Gold
Telephone: 15726167122
Website: www.zsscm.com.cn
Company Name: J & K SCIENTIFIC LTD.  
Telephone: 18210857532 18210857532
Website: https://www.jkchemical.com
Company Name: Meryer (Shanghai) Chemical Technology Co., Ltd.  
Telephone: 4006356688 18621169109
Website: www.x-labseek.com/
Company Name: Alfa Aesar  
Telephone: 400-6106006
Website: http://chemicals.thermofisher.cn
Company Name: TCI (Shanghai) Development Co., Ltd.  
Telephone: 021-67121386
Website: https://www.tcichemicals.com/CN/zh/
Company Name: Beijing HwrkChemical Technology Co., Ltd  
Telephone: 89508211 18501085097
Website: www.hwrkchemical.com
Company Name: Energy Chemical  
Telephone: 400-0056266
Website: www.energy-chemical.com
Company Name: Capot Chemical Co., Ltd  
Telephone: +86 (0) 571 85 58 67 18
Website: www.capotchem.com
Company Name: Beijing Ouhe Technology Co., Ltd  
Telephone: 13552068683 13522913783
Website: www.ouhetech.cn/
Company Name: JinYan Chemicals(ShangHai) Co.,Ltd.  
Telephone: 13817811078
Website: www.jingyan-chemical.com
Company Name: Jia Xing Isenchem Co.,Ltd  
Telephone: 0573-85285100 18627885956
Website: https://www.chemicalbook.com/ShowSupplierProductsList14265/0_EN.htm
Company Name: Accela ChemBio Co.,Ltd.  
Telephone: 021-50795510 4000665055
Website: http://www.shao-yuan.com/
Company Name: Shanghai Longsheng chemical Co.,Ltd.  
Telephone: 58099637 13585536065
Website: www.shlshg.com
Tags:100-54-9 Related Product Information
5444-01-9 6602-54-6 25895-60-7 462-08-8 6317-18-6 1453-82-3 1986-81-8 59-67-6 98-92-0 53-84-9 1094-61-7 7085-85-0 1452-77-3 100-48-1 100-70-9 3222-48-8 14237-71-9 56891-69-1