4-(3-Chlorophenyl)-4H-1,2,4-triazole-3,5-diol

Name: 4-(3-Chlorophenyl)-4H-1,2,4-triazole-3,5-diol
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CAS No. 52039-91-5
Cat. No. CS-0317683
Molecule weight211.61
Purity≥98%
MDL No.None

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4-(3-Chlorophenyl)-4H-1,2,4-triazole-3,5-diol|CS-0317683

Structure of 52039-91-5

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General Information

CAS No. 52039-91-5
Cat. No. CS-0317683
Purity ≥98%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₆ClN₃O₂
Molecular Weight 211.61
Synonym(s) 4-(3-Chlorophenyl)-1,2,4-triazolidine-3,5-dione
SMILES C1=CC(=CC(=C1)N2C(=NN=C2O)O)Cl

Synthesis

Route1
- 2909-38-8
- ~%
- 52039-91-5
References
- Bausch, M. J.; David, B.; Dobrowolski, P.; Guadalupe-Fasano, C.; Gostowski, R.; et al. Journal of Organic Chemistry, 1991 , vol. 56, # 19 p. 5643 - 5651
Route2
- 35580-60-0
- ~%
- 52039-91-5
References
- Forsyth, Craig M.; Francis, Craig L.; Jahangiri, Saba; Liepa, Andris J.; Perkins, Michael V.; Young, Anna P. Australian Journal of Chemistry, 2010 , vol. 63, # 5 p. 785 - 791

Safety Information

Download SDS

GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

TPSA 71.17
LogP 1.3319
H_Acceptors 5
H_Donors 2
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Skeleton Aromatic heterocycle compounds Triazole compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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4-(3-Chlorophenyl)-4H-1,2,4-triazole-3,5-diol

CAS No. 52039-91-5

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General Information

Synthesis

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