3-Chloro-1,2,4-triazole

Name: 3-Chloro-1,2,4-triazole
Brand: ChemScene
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CAS No. 6818-99-1
Cat. No. CS-W011303
Purity≥96%
MDL No.MFCD00128812

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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Structure of 6818-99-1

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General Information

CAS No. 6818-99-1
Cat. No. CS-W011303
Purity ≥96%
MDL No. MFCD00128812
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₂H₂ClN₃
Molecular Weight 103.51
Synonym(s) s-Triazole, 3-chloro- (VAN) (8CI)
SMILES ClC1=NNC=N1

Description

3-Chloro-1,2,4-triazole is a heterocyclic compound featuring a chlorine substituent at the 3-position of the 1,2,4-triazole ring. This electron-deficient scaffold serves as a key building block in medicinal chemistry and agrochemical synthesis, offering enhanced reactivity for C–H functionalization and transition-metal-catalyzed coupling processes.

Application

3-Chloro-1,2,4-triazole serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient construction of triazolyl-containing scaffolds. Its electrophilic chlorine substituent facilitates nucleophilic substitution reactions under mild conditions, supporting the installation of diverse functional groups. The compound exhibits good bench stability and compatibility with common protecting group strategies, making it well-suited for iterative synthesis workflows and scalable process development.

Synthesis

Route1
- In-stock
  
  24807-55-4
- ~37%
- In-stock
  
  6818-99-1
References
- Naito, Youichiro; Akahoshi, Fumihiko; Takeda, Shinji; Okada, Takehiro; Kajii, Masahiko; Nishimura, Hiroko; Sugiura, Masanori; Fukaya, Chikara; Kagitani, Yoshio Journal of Medicinal Chemistry, 1996 , vol. 39, # 15 p. 3019 - 3029
Route2
- 74205-83-7
- 75-36-5
- ~0%
- In-stock
  
  6818-99-1
- 74205-88-2
References
- Chemistry of Heterocyclic Compounds (New York, NY, United States), , vol. 16, # 2 p. 189 - 194 Khimiya Geterotsiklicheskikh Soedinenii, , vol. 16, # 2 p. 251 - 256
Route3
- In-stock
  
  61-82-5
- ~%
- In-stock
  
  6818-99-1
References
- Justus Liebigs Annalen der Chemie, , vol. 303, p. 54

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 41.57
LogP 0.4581
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Triazole compounds

Key Words

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3-Chloro-1,2,4-triazole

CAS No. 6818-99-1

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