ChemicalBook > CAS DataBase List > 4-PYRAZOL-1-YL-BENZONITRILE

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

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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

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Safety

Hazard Codes: Xi
RIDADR: UN3439
HazardClass: 6.1
PackingGroup: III
HS Code: 2933199090

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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..…

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N-Bromosuccinimide Price

TCI Chemical

Product number: P2450
Product name: 4-(1-Pyrazolyl)benzonitrile
Purity: >98.0%(GC)
Packaging: 1g
Price: $42
Updated: 2025/07/31

TCI Chemical

Product number: P2450
Product name: 4-(1-Pyrazolyl)benzonitrile
Purity: >98.0%(GC)
Packaging: 5g
Price: $167
Updated: 2025/07/31

TRC

Product number: H955375
Product name: 4-(1H-Pyrazol-1-yl)benzonitrile
Packaging: 2.5g
Price: $130
Updated: 2021/12/16

AK Scientific

Product number: Z4504
Product name: 4-(1H-Pyrazol-1-yl)benzonitrile
Packaging: 5g
Price: $134
Updated: 2021/12/16

Apolloscientific

Product number: OR111078
Product name: 4-(1H-Pyrazol-1-yl)benzonitrile
Packaging: 1g
Price: $95
Updated: 2021/12/16

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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

Career Henan Chemical Co

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

25699-83-6, 4-PYRAZOL-1-YL-BENZONITRILERelated Search:

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4-PYRAZOL-1-YL-BENZONITRILE

4-(1H-Pyrazol-1-yl)

Benzonitrile, 4-(1H-pyrazol-1-yl)-

Benzonitrile, p-pyrazol-1-yl-

4-(1-Pyrazolyl)benzonitrile

4-(1H-PyrazoL

1-(4-Cyanophenyl)pyrazole

25699-83-6