4-(Trifluoromethyl)nicotinonitrile
- Product Name
- 4-(Trifluoromethyl)nicotinonitrile
- CAS No.
- 13600-43-6
- Chemical Name
- 4-(Trifluoromethyl)nicotinonitrile
- Synonyms
- BUTTPARK 43\57-45;4-(TRIFLUOROMETHYL)NICOTINONITRILE;4-TRIFLUOROMETHYL-3-PYRIDINENITRILE;3-CYANO-4-(TRIFLUOROMETHYL)PYRIDINE;3-Cyano-4-(trifluoromethyl)pyridine95+%;4-(Trifluoromethyl)nicotinonitrile 95+%;4-(trifluoroMethyl)pyridine-3-carbonitrile;4-(Trifluoromethyl)-3-pyridinecarbonitrile;4-(Trifluoromethyl)Nicotinonitrile(WX683324);3-Pyridinecarbonitrile, 4-(trifluoromethyl)-
- CBNumber
- CB5469325
- Molecular Formula
- C7H3F3N2
- Formula Weight
- 172.11
- MOL File
- 13600-43-6.mol
4-(Trifluoromethyl)nicotinonitrile Property
- Boiling point:
- 75-77°C 15mm
- Density
- 1.37±0.1 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- solubility
- Chloroform (Sparingly), Methanol (Slightly)
- form
- Oil
- pka
- -0.57±0.18(Predicted)
- color
- Colourless
- InChI
- InChI=1S/C7H3F3N2/c8-7(9,10)6-1-2-12-4-5(6)3-11/h1-2,4H
- InChIKey
- DHIRCRHQLUNYDS-UHFFFAOYSA-N
- SMILES
- C1=NC=CC(C(F)(F)F)=C1C#N
- CAS DataBase Reference
- 13600-43-6(CAS DataBase Reference)
Safety
- Hazard Codes
- Xi,Xn,T
- Risk Statements
- 36/37/38-20/21/22-25
- Safety Statements
- 26-36-36/37-45
- HazardClass
- IRRITANT
- HS Code
- 2933399990
N-Bromosuccinimide Price
- Product number
- C987898
- Product name
- 3-Cyano-4-(trifluoromethyl)pyridine
- Packaging
- 500mg
- Price
- $60
- Updated
- 2021/12/16
- Product number
- PC2108B
- Product name
- 4-(Trifluoromethyl)nicotinonitrile
- Purity
- 95+%
- Packaging
- 1g
- Price
- $32
- Updated
- 2021/12/16
- Product number
- 3H37-3-X3
- Product name
- 3-Cyano-4-(trifluoromethyl)pyridine
- Purity
- 95.0%
- Packaging
- 1g
- Price
- $52
- Updated
- 2021/12/16
- Product number
- BP-10957
- Product name
- 4-(trifluoromethyl)nicotinonitrile
- Purity
- 95%
- Packaging
- 1g
- Price
- $55
- Updated
- 2021/12/16
- Product number
- 001381
- Product name
- 3-Cyano-4-(trifluoromethyl)pyridine
- Purity
- 95%
- Packaging
- 1g
- Price
- $60
- Updated
- 2021/12/16
4-(Trifluoromethyl)nicotinonitrile Chemical Properties,Usage,Production
Chemical Properties
Pale yellow solid
Definition
ChEBI: 4-(Trifluoromethyl)nicotinonitrile is a member of pyridines and a nitrile.
Synthesis
533932-97-7
533932-96-6
13600-43-6
The general procedure for the synthesis of 3-cyano-4-trifluoromethylpyridine (Compound VIIb) from Compound (CAS:533932-97-7) and Compound (CAS:533932-96-6) is as follows (refer to Example 5): Step F: To a solution of 28% sodium methanol (580 mg, 3.0 mmol) in methanol (5 mL) was added a methanol solution of 3-[(4,4,4-trifluoro-3-oxo-1-butenyl)amino]-2-propenenenitrile (a mixture of IIa and IIb; 380 mg, 2.0 mmol), and the reaction mixture was stirred and then refluxed for 2 hours at room temperature. After completion of the reaction, the reaction solution was poured into water and extracted with ethyl acetate. The organic layers were combined, washed with brine, dried over magnesium sulfate and then concentrated. The resulting residue was purified by silica gel column chromatography (elution solvent: hexane/ethyl acetate = 3/1) to give 195 mg (56.5% yield) of the target compound 3-cyano-4-trifluoromethylpyridine. 1H-NMR spectrum (200 MHz, CD3OD) δ (ppm): 9.11 (1H, s), 9.03 (1H, d, J=5.1 Hz), 7.72 (1H, d, J=5.1 Hz).
References
[1] Patent: EP1460071, 2004, A1. Location in patent: Page 39
[2] Patent: EP1460071, 2004, A1. Location in patent: Page 40
4-(Trifluoromethyl)nicotinonitrile Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 4-(Trifluoromethyl)nicotinonitrile manufacturers
- Product
- 4-(Trifluoromethyl)nicotinonitrile 13600-43-6
- Price
- US $1.10/g
- Min. Order
- 1g
- Purity
- 99.0% min
- Supply Ability
- 100 tons min
- Release date
- 2021-05-13
- Product
- 4-(Trifluoromethyl)nicotinonitrile 13600-43-6
- Price
- US $36.00-1.50/kg
- Min. Order
- 1kg
- Purity
- 99%
- Supply Ability
- g-kg-tons, free sample is available
- Release date
- 2024-04-09
- Product
- 4-(Trifluoromethyl)nicotinonitrile 13600-43-6
- Price
- US $15.00-10.00/KG
- Min. Order
- 1KG
- Purity
- 99%+ HPLC
- Supply Ability
- Monthly supply of 1 ton
- Release date
- 2021-07-10