1-(3-Chlorophenyl)-1h-1,2,3-triazole-4-carbaldehyde

Name: 1-(3-Chlorophenyl)-1h-1,2,3-triazole-4-carbaldehyde
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CAS No. 825635-27-6
Cat. No. CS-0350213
Purity≥97%
MDL No.None

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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1-(3-Chlorophenyl)-1h-1,2,3-triazole-4-carbaldehyde|CS-0350213

Structure of 825635-27-6

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General Information

CAS No. 825635-27-6
Cat. No. CS-0350213
Purity ≥97%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₆ClN₃O
Molecular Weight 207.62
Synonym(s) 1-(3-chlorophenyl)triazole-4-carbaldehyde
SMILES O=CC1=CN(C2=CC(Cl)=CC=C2)N=N1

Synthesis

Route1
- 50704-41-1
- 141-85-5
- ~70%
- 825635-27-6
References
- Costa, Marilia S.; Boechat, Nubia; Rangel, Erica A.; da Silva, Fernando de C.; de Souza, Alessandra M.T.; Rodrigues, Carlos R.; Castro, Helena C.; Junior, Ivan N.; Lourenco, Maria Cristina S.; Wardell, Solange M.S.V.; Ferreira, Vitor F. Bioorganic and Medicinal Chemistry, 2006 , vol. 14, # 24 p. 8644 - 8653
Route2
- 863609-14-7
- ~%
- 825635-27-6
References
- Boechat, Nubia; Ferreira, Vitor F.; Ferreira, Sabrina B.; Ferreira, Maria De Lourdes G.; Da Silva, Fernando De C.; Bastos, Monica M.; Costa, Marilia Dos S.; Lourenco, Maria Cristina S.; Pinto, Angelo C.; Krettli, Antoniana U.; Aguiar, Anna Caroline; Teixeira, Brunno M.; Da Silva, Nathalia V.; Martins, Priscila R. C.; Bezerra, Flavio Augusto F. M.; Camilo, Ane Louise S.; Da Silva, Gerson P.; Costa, Carolina C. P. Journal of Medicinal Chemistry, 2011 , vol. 54, # 17 p. 5988 - 5999
Route3
- 3296-06-8
- ~%
- 825635-27-6
References
- Boechat, Nubia; Ferreira, Vitor F.; Ferreira, Sabrina B.; Ferreira, Maria De Lourdes G.; Da Silva, Fernando De C.; Bastos, Monica M.; Costa, Marilia Dos S.; Lourenco, Maria Cristina S.; Pinto, Angelo C.; Krettli, Antoniana U.; Aguiar, Anna Caroline; Teixeira, Brunno M.; Da Silva, Nathalia V.; Martins, Priscila R. C.; Bezerra, Flavio Augusto F. M.; Camilo, Ane Louise S.; Da Silva, Gerson P.; Costa, Carolina C. P. Journal of Medicinal Chemistry, 2011 , vol. 54, # 17 p. 5988 - 5999

Safety Information

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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

Quality Control

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Computational Chemistry Data

TPSA 47.78
LogP 1.7332
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Aldehyde

Building Blocks Skeleton Aromatic heterocycle compounds Triazole compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

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1-(3-Chlorophenyl)-1h-1,2,3-triazole-4-carbaldehyde

CAS No. 825635-27-6

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