3-Bromo-4-methyl-4H-1,2,4-triazole

Name: 3-Bromo-4-methyl-4H-1,2,4-triazole
Brand: ChemScene
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CAS No. 16681-73-5
Cat. No. CS-0054147
Purity≥95%
MDL No.MFCD10696422

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3-Bromo-4-methyl-4H-1,2,4-triazole|CS-0054147

Structure of 16681-73-5

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General Information

CAS No. 16681-73-5
Cat. No. CS-0054147
Purity ≥95%
MDL No. MFCD10696422
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₃H₄BrN₃
Molecular Weight 161.99
Synonym(s) 3-bromo-4-methyl-1,2,4-triazole
SMILES CN1C=NN=C1Br

Synthesis

Route1
- In-stock
  
  10570-40-8
- ~19%
- In-stock
  
  16681-73-5
References
- Gibson, Christoph; Schnatbaum, Karsten; Pfeifer, Jochen R.; Locardi, Elsa; Paschke, Matthias; Reimer, Ulf; Richter, Uwe; Scharn, Dirk; Faussner, Alexander; Tradler, Thomas Journal of Medicinal Chemistry, 2009 , vol. 52, # 14 p. 4370 - 4379

Safety Information

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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-P330-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 30.71
LogP 0.5776
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Triazole compounds

Key Words

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3-Bromo-4-methyl-4H-1,2,4-triazole

CAS No. 16681-73-5

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