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5-Chloro-1-phenyl-1H-pyrazole-4-carbonitrile is a pyrazole derivative with the molecular formula C10H6ClN3. It is a heterocyclic organic compound that serves as a versatile building block in medicinal chemistry for the synthesis of pharmaceuticals, agrochemicals, and other biologically active compounds. The presence of a chloro and a cyano group in its structure endows it with diverse chemical reactivity, making it a valuable starting material for the synthesis of various functionalized pyrazole derivatives with potential biological activity. As an important intermediate in organic synthesis, 5-Chloro-1-phenyl-1H-pyrazole-4-carbonitrile holds promise for applications in various fields of chemical science.

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  • 1050619-81-2 Structure
  • Basic information

    1. Product Name: 5-chloro-1-phenyl-1H-pyrazole-4-carbonitrile
    2. Synonyms: 5-chloro-1-phenyl-1H-pyrazole-4-carbonitrile
    3. CAS NO:1050619-81-2
    4. Molecular Formula: C10H6ClN3
    5. Molecular Weight: 203.62774
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 1050619-81-2.mol
  • Chemical Properties

    1. Melting Point: 79-80℃
    2. Boiling Point: 363℃
    3. Flash Point: 173℃
    4. Appearance: /
    5. Density: 1.28
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: 5-chloro-1-phenyl-1H-pyrazole-4-carbonitrile(CAS DataBase Reference)
    10. NIST Chemistry Reference: 5-chloro-1-phenyl-1H-pyrazole-4-carbonitrile(1050619-81-2)
    11. EPA Substance Registry System: 5-chloro-1-phenyl-1H-pyrazole-4-carbonitrile(1050619-81-2)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 1050619-81-2(Hazardous Substances Data)

1050619-81-2 Usage

Uses

Used in Pharmaceutical Industry:
5-Chloro-1-phenyl-1H-pyrazole-4-carbonitrile is used as a key intermediate for the synthesis of pharmaceuticals, contributing to the development of new drugs with potential therapeutic applications.
Used in Agrochemical Industry:
This chemical compound is utilized as a building block in the synthesis of agrochemicals, aiding in the creation of novel compounds with pesticidal or herbicidal properties.
Used in Research and Development:
5-Chloro-1-phenyl-1H-pyrazole-4-carbonitrile serves as a starting material for the research and development of new drugs, enabling scientists to explore its potential in various therapeutic areas.
Used in Organic Synthesis:
As an important intermediate in organic synthesis, 5-Chloro-1-phenyl-1H-pyrazole-4-carbonitrile is employed for the synthesis of various functionalized pyrazole derivatives, which may exhibit biological activity and find applications in different fields of chemical science.

Check Digit Verification of cas no

The CAS Registry Mumber 1050619-81-2 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,0,5,0,6,1 and 9 respectively; the second part has 2 digits, 8 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 1050619-81:
(9*1)+(8*0)+(7*5)+(6*0)+(5*6)+(4*1)+(3*9)+(2*8)+(1*1)=122
122 % 10 = 2
So 1050619-81-2 is a valid CAS Registry Number.

1050619-81-2SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name 5-chloro-1-phenylpyrazole-4-carbonitrile

1.2 Other means of identification

Product number -
Other names 5-chloro-1-phenyl-1H-pyrazole-4-carbonitrile

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:1050619-81-2 SDS

1050619-81-2Downstream Products

1050619-81-2Relevant articles and documents

New application of heterocyclic diazonium salts. Synthesis of pyrazolo[3,4-d][1,2,3]triazin-4-ones and imidazo[4,5-d][1,2,3]triazin-4-ones

Colomer, Juan Pablo,Moyano, Elizabeth Laura

supporting information; experimental part, p. 1561 - 1565 (2011/05/05)

The pyrazolo[3,4-d][1,2,3]triazin-4-ones 3 and imidazo[4,5-d][1,2,3] triazin-4-ones 4 are analogs structurally related to purines that have showed a wide and significant variety of biological activity. These compounds were synthesized by one-pot diazotization of 5-amino-1H-pyrazole-4-carbonitriles 1 and 5-amino-1H-imidazole-4-carbonitriles 2, respectively.

New application of heterocyclic diazonium salts: Synthesis of new pyrazolo[3,4-d][1,2,3]triazin-4-ones

Moyano, Elizabeth L.,Colomer, Juan Pablo,Yranzo, Gloria I.

experimental part, p. 3377 - 3381 (2009/04/06)

7-Substituted 3,7-dihydro-4H-pyrazolo[3,4-d][1,2,3]triazin-4-ones 2a-d were conveniently prepared by direct diazotization of 5-aminopyrazole-4- carbonitriles 1a-d in HCl media. Different reaction conditions and the effects of substituents on N-1 of the pyrazole ring were studied. A possible mechanistic exlpanation of the observed process is proposed. Wiley-VCH Verlag GmbH & Co. KGaA, 2008.

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