4-PYRAZOL-1-YL-BENZONITRILE
- Product Name
- 4-PYRAZOL-1-YL-BENZONITRILE
- CAS No.
- 25699-83-6
- Chemical Name
- 4-PYRAZOL-1-YL-BENZONITRILE
- Synonyms
- 4-(1H-PyrazoL;4-(1H-Pyrazol-1-yl);1-(4-Cyanophenyl)pyrazole;4-PYRAZOL-1-YL-BENZONITRILE;4-(1-Pyrazolyl)benzonitrile;Benzonitrile, p-pyrazol-1-yl-;Benzonitrile, 4-(1H-pyrazol-1-yl)-
- CBNumber
- CB4803728
- Molecular Formula
- C10H7N3
- Formula Weight
- 169.18
- MOL File
- 25699-83-6.mol
4-PYRAZOL-1-YL-BENZONITRILE Property
- Melting point:
- 89 °C
- Boiling point:
- 316.5±25.0 °C(Predicted)
- Density
- 1.13±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- -0.63±0.10(Predicted)
- color
- White to Light yellow
- InChI
- InChI=1S/C10H7N3/c11-8-9-2-4-10(5-3-9)13-7-1-6-12-13/h1-7H
- InChIKey
- SLPWCEHHSRUSKN-UHFFFAOYSA-N
- SMILES
- C(#N)C1=CC=C(N2C=CC=N2)C=C1
Safety
- Hazard Codes
- Xi
- RIDADR
- UN3439
- HazardClass
- 6.1
- PackingGroup
- III
- HS Code
- 2933199090
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P270Do not eat, drink or smoke when using this product.
P271Use only outdoors or in a well-ventilated area.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P332+P313IF SKIN irritation occurs: Get medical advice/attention.
P337+P313IF eye irritation persists: Get medical advice/attention.
P501Dispose of contents/container to..…
N-Bromosuccinimide Price
- Product number
- P2450
- Product name
- 4-(1-Pyrazolyl)benzonitrile
- Purity
- >98.0%(GC)
- Packaging
- 1g
- Price
- $42
- Updated
- 2025/07/31
- Product number
- P2450
- Product name
- 4-(1-Pyrazolyl)benzonitrile
- Purity
- >98.0%(GC)
- Packaging
- 5g
- Price
- $167
- Updated
- 2025/07/31
- Product number
- H955375
- Product name
- 4-(1H-Pyrazol-1-yl)benzonitrile
- Packaging
- 2.5g
- Price
- $130
- Updated
- 2021/12/16
- Product number
- Z4504
- Product name
- 4-(1H-Pyrazol-1-yl)benzonitrile
- Packaging
- 5g
- Price
- $134
- Updated
- 2021/12/16
- Product number
- OR111078
- Product name
- 4-(1H-Pyrazol-1-yl)benzonitrile
- Packaging
- 1g
- Price
- $95
- Updated
- 2021/12/16
4-PYRAZOL-1-YL-BENZONITRILE Chemical Properties,Usage,Production
Synthesis
288-13-1
1194-02-1
25699-83-6
The general procedure for the synthesis of 4-(1-pyrazolyl)benzonitrile from pyrazole and p-fluorobenzonitrile was as follows: 4-fluorobenzonitrile (204.2 g, 1.0 eq.), pyrazole (138.6 g, 1.22 eq.), and potassium carbonate (281.5 g, 1.22 eq.) were dissolved in DMF (1110 mL), and heated to a temperature of 120°C for 7 hours. After completion of the reaction, the suspension was cooled to 25 °C and diluted with water (2920 mL). The reaction mixture was extracted with methyl tert-butyl ether (MTBE, 3 x 1460 mL), and the organic phases were combined and washed sequentially with water (3 x 1460 mL) and saturated aqueous sodium chloride solution (1460 mL). The organic phase was concentrated at atmospheric pressure until the tank temperature rose to 65 °C, then heptane (1700 mL) was added over 30 min at 60-65 °C and distillation was continued to collect 300 mL of distillate. The solution was stirred at 60-65°C for 15 minutes and subsequently cooled to <5°C. The resulting slurry was filtered, the solid was washed with heptane (2 x 200 mL) and dried under vacuum to constant weight to afford the target product 4-(1-pyrazolyl)benzonitrile as a white solid (245.3 g, 87% yield). The product was characterized by 1H NMR (400 MHz, CDCl3): δ 6.51 (q, 1H), 7.71 (d, 2H), 7.75 (d, 1H), 7.81 (d, 2H), 7.98 (d, 1H).
References
[1] Patent: WO2009/61271, 2009, A1. Location in patent: Page/Page column 45-46
[2] Bioorganic and Medicinal Chemistry Letters, 2006, vol. 16, # 11, p. 2955 - 2959
[3] Patent: US2011/224229, 2011, A1. Location in patent: Page/Page column 19
[4] Patent: WO2017/87837, 2017, A1. Location in patent: Paragraph 00269
[5] Patent: US9301951, 2016, B2. Location in patent: Page/Page column 231
4-PYRAZOL-1-YL-BENZONITRILE Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 4-PYRAZOL-1-YL-BENZONITRILE manufacturers
- Product
- 4-PYRAZOL-1-YL-BENZONITRILE 25699-83-6
- Price
- US $1.00/KG
- Min. Order
- 1KG
- Purity
- 98%
- Supply Ability
- 150KG
- Release date
- 2019-07-02