88474-32-2

Basic information

• Product Name: 1H-1,2,3-Triazole-4-carbonitrile,5-chloro-(9CI)
• Synonyms: 1H-1,2,3-Triazole-4-carbonitrile,5-chloro-(9CI);1H-1,2,3-Triazole-4-carbonitrile, 5-chloro-
• CAS NO: 88474-32-2
• Molecular Formula: C₃HClN₄
• Molecular Weight: 128.522
• Product Categories: NITRILE
• Mol File: 88474-32-2.mol
• Article Data: 2

Chemical Properties

• Melting Point: 149-150 °C(Solv: benzene (71-43-2); hexane (110-54-3))
• Boiling Point: 384.7°C at 760 mmHg
• Flash Point: 186.4°C
• Appearance: /
• Density: 1.68g/cm³
• Vapor Pressure: 4.02E-06mmHg at 25°C
• Refractive Index: 1.586
• PKA: 3.89±0.70(Predicted)
• CAS DataBase Reference: 1H-1,2,3-Triazole-4-carbonitrile,5-chloro-(9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-1,2,3-Triazole-4-carbonitrile,5-chloro-(9CI)(88474-32-2)
• EPA Substance Registry System: 1H-1,2,3-Triazole-4-carbonitrile,5-chloro-(9CI)(88474-32-2)

Safety Data

• Hazardous Substances Data: 88474-32-2(Hazardous Substances Data)

Usage

Derivative of triazole class

Yes
The compound belongs to the triazole class of compounds, which are known for their diverse pharmacological properties.

Presence of chlorine atom

5th position of the triazole ring
The chlorine atom in the 5th position of the triazole ring imparts unique chemical and biological activity to the compound.

Potential applications

Antiviral, anticancer, and synthesis of pharmaceutical agents
The compound has been studied for its potential as an antiviral and anticancer compound, as well as for its use in the synthesis of other pharmaceutical agents.

Structural and pharmacological characteristics

Valuable for research and development in medicinal chemistry
The compound's structural and pharmacological characteristics make it a valuable target for further research and development in the field of medicinal chemistry.

Chemical compound

Yes
1H-1,2,3-Triazole-4-carbonitrile,5-chloro-(9CI) is a chemical compound, which means it is a substance formed from two or more elements chemically bonded together in a fixed proportion.

Nitrogen-containing heterocycle

Yes
The compound is a nitrogen-containing heterocycle, which means it has a ring structure containing nitrogen atoms in addition to carbon atoms.

Biological activity

Unique due to chlorine atom
The biological activity of the compound is unique and influenced by the presence of the chlorine atom in the 5th position of the triazole ring.

InChI:InChI=1/C3HClN4/c4-3-2(1-5)6-8-7-3/h(H,6,7,8)

Upstream product

• 5413-85-4 5-amino-4,6-dichloropyridimine 
• 39906-04-2 5-amino-4,6-dichloro-2-methylpyrimidine 

Downstream Products

• 85059-19-4 4-carbamoyl-5-chloro-1,2,3-triazole 
• 85059-19-4 4-chloro-5-carbamoyl-1,2,3-triazole 
• 95245-17-3 1-(2,3,5-tri-O-benzoyl-β-D-ribofuranosyl)-4-chloro-5-cyano-1,2,3-triazole 

Relevant articles and documents

DERIVATIVES OF 4(5)SUBSTITUTED-1,2,3-TRIAZOL-5(4)-CARBOXYLIC ACIDS SYNTHESIS AND ANTITUMOR ACTIVITY

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