3-Chloro-4-cyanopyridine
- Product Name
- 3-Chloro-4-cyanopyridine
- CAS No.
- 68325-15-5
- Chemical Name
- 3-Chloro-4-cyanopyridine
- Synonyms
- 3-CHLORO-ISONICOTINONITRILE;3-Chloro-4-cyanopyri;3-chloro-4-cynopyridine;3-CHLORO-4-CYANOPYRIDINE;3- chloro-4-cyanpyridine;3-Chloro-4-cyanopyridine ,98%;3-Chloropyridin-4-carbonitrile;3-CHLOROPYRIDINE-4-CARBONITRILE;3-Chloro-4-pyridinecarbonitrile;4-Pyridinecarbonitrile, 3-chloro-
- CBNumber
- CB2209702
- Molecular Formula
- C6H3ClN2
- Formula Weight
- 138.55
- MOL File
- 68325-15-5.mol
3-Chloro-4-cyanopyridine Property
- Melting point:
- 71-73°C
- Boiling point:
- 233.3±20.0 °C(Predicted)
- Density
- 1.33±0.1 g/cm3(Predicted)
- storage temp.
- under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- Dichloromethane, Ethyl Acetate, Methanol
- form
- Solid
- pka
- -0.41±0.18(Predicted)
- color
- Pale Yellow
- InChI
- InChI=1S/C6H3ClN2/c7-6-4-9-2-1-5(6)3-8/h1-2,4H
- InChIKey
- JLLJPPBGJVCFGG-UHFFFAOYSA-N
- SMILES
- C1=NC=CC(C#N)=C1Cl
- CAS DataBase Reference
- 68325-15-5(CAS DataBase Reference)
Safety
- Hazard Codes
- Xi
- Risk Statements
- 20/21/22-36/37/38
- Safety Statements
- 26-36/37
- RIDADR
- UN3439
- WGK Germany
- 3
- Hazard Note
- Irritant
- HazardClass
- 6.1
- PackingGroup
- III
- HS Code
- 29333990
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Danger
- Hazard statements
-
H301Toxic if swalloed
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P301+P310IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- 792667
- Product name
- 3-Chloropyridine-4-carbonitrile
- Purity
- 97%
- Packaging
- 500mg
- Price
- $140
- Updated
- 2023/01/07
- Product number
- C2998
- Product name
- 3-Chloro-4-cyanopyridine
- Purity
- >98.0%(GC)
- Packaging
- 1g
- Price
- $42
- Updated
- 2025/07/31
- Product number
- C2998
- Product name
- 3-Chloro-4-cyanopyridine
- Purity
- >98.0%(GC)
- Packaging
- 5g
- Price
- $164
- Updated
- 2025/07/31
- Product number
- C4978-45
- Product name
- 3-Chloro-4-cyanopyridine
- Packaging
- 100mg
- Price
- $403
- Updated
- 2021/12/16
- Product number
- C365100
- Product name
- 3-Chloro-4-cyanopyridine
- Packaging
- 500mg
- Price
- $495
- Updated
- 2021/12/16
3-Chloro-4-cyanopyridine Chemical Properties,Usage,Production
Chemical Properties
Pale Yellow Solid
Uses
3-Chloro-4-cyanopyridine (cas# 68325-15-5) is a compound useful in organic synthesis.
Synthesis
100-48-1
68325-15-5
The general procedure for the synthesis of 3-chloro-4-cyanopyridine from 4-cyanopyridine was as follows: to a stirred solution of 2,2,6,6-tetramethylpiperidine (17.16 mL, 100.854 mmol) in tetrahydrofuran (THF, 100 mL) at -30 °C was slowly added n-butyllithium (n-BuLi, 2.17 M, 44.26 mL, 96.052 mmol). The reaction mixture was stirred at 25 °C for 15 min before being cooled to -78 °C and a solution of 4-cyanopyridine (5 g, 48.026 mmol) in THF (40 mL) was added slowly and dropwise. After continued stirring at -78 °C for 30 min, a THF (50 mL) solution of hexaethyl ethane (23.87 g, 100.854 mmol) was added. The resulting mixture was stirred at -78 °C for 30 min, followed by quenching the reaction with saturated ammonium chloride (NH4Cl) solution. Water (100 mL) was added to the reaction mixture and extracted with ethyl acetate (4 x 300 mL). The organic layers were combined, dried with anhydrous sodium sulfate and concentrated under reduced pressure to give the crude product. The crude product was purified by column chromatography using silica gel (100-200 mesh) and 5% ethyl acetate-hexane as eluent to yield 3-chloropyridine-4-carbonitrile (3.5 g, 25.26±1 mmol, 53% yield) as a light-white solid.The GC-MS analysis showed the molecular ion peak to be 138 m/z. The molecular ions were analyzed by GC-MS.
References
[1] Tetrahedron, 2006, vol. 62, # 25, p. 5862 - 5867
[2] Journal of Medicinal Chemistry, 2012, vol. 55, # 22, p. 10118 - 10129
[3] Patent: WO2014/186035, 2014, A1. Location in patent: Page/Page column 182; 183
[4] Tetrahedron Letters, 2005, vol. 46, # 1, p. 135 - 137
[5] Journal of the American Chemical Society, 2013, vol. 135, # 24, p. 9213 - 9219
3-Chloro-4-cyanopyridine Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 3-Chloro-4-cyanopyridine manufacturers
- Product
- 3-Chloro-4-cyanopyridine 68325-15-5
- Price
- US $1.10/g
- Min. Order
- 1g
- Purity
- 99.0% min
- Supply Ability
- 100 tons min
- Release date
- 2021-04-30
- Product
- 3-Chloro-4-cyanopyridine 68325-15-5
- Price
- US $1.00/kg
- Min. Order
- 1kg
- Purity
- 95%-99%
- Supply Ability
- as request
- Release date
- 2018-12-24