1-Isopropyl-1H-benzo[d][1,2,3]triazole-6-carbaldehyde

Name: 1-Isopropyl-1H-benzo[d][1,2,3]triazole-6-carbaldehyde
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CAS No. 467235-07-0
Cat. No. CS-0488753
Purity≥98%
MDL No.MFCD09264623

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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1-Isopropyl-1H-benzo[d][1,2,3]triazole-6-carbaldehyde|CS-0488753

Structure of 467235-07-0

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General Information

CAS No. 467235-07-0
Cat. No. CS-0488753
Purity ≥98%
MDL No. MFCD09264623
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₁₁N₃O
Molecular Weight 189.21
Synonym(s) 1-Isopropyl-1H-benzo[D][1,2,3]triazole-5-carbaldehyde
SMILES CC(C)N1N=NC2=C1C=C(C=O)C=C2

Synthesis

Route1
- 467235-06-9
- ~65%
- 467235-07-0
References
- McClure, Kim F.; Abramov, Yuriy A.; Laird, Ellen R.; Barberia, John T.; Cai, Weiling; Carty, Thomas J.; Cortina, Santo R.; Danley, Dennis E.; Dipesa, Alan J.; Donahue, Kathleen M.; Dombroski, Mark A.; Elliott, Nancy C.; Gabel, Christopher A.; Han, Seungil; Hynes, Thomas R.; LeMotte, Peter K.; Mansour, Mahmoud N.; Marr, Eric S.; Letavic, Michael A.; Pandit, Jayvardhan; Ripin, David B.; Sweeney, Francis J.; Tan, Douglas; Tao, Yong Journal of Medicinal Chemistry, 2005 , vol. 48, # 18 p. 5728 - 5737
Route2
- 467235-05-8
- ~%
- 467235-07-0
References
- McClure, Kim F.; Abramov, Yuriy A.; Laird, Ellen R.; Barberia, John T.; Cai, Weiling; Carty, Thomas J.; Cortina, Santo R.; Danley, Dennis E.; Dipesa, Alan J.; Donahue, Kathleen M.; Dombroski, Mark A.; Elliott, Nancy C.; Gabel, Christopher A.; Han, Seungil; Hynes, Thomas R.; LeMotte, Peter K.; Mansour, Mahmoud N.; Marr, Eric S.; Letavic, Michael A.; Pandit, Jayvardhan; Ripin, David B.; Sweeney, Francis J.; Tan, Douglas; Tao, Yong Journal of Medicinal Chemistry, 2005 , vol. 48, # 18 p. 5728 - 5737
Route3
- 467235-04-7
- ~%
- 467235-07-0
References
- McClure, Kim F.; Abramov, Yuriy A.; Laird, Ellen R.; Barberia, John T.; Cai, Weiling; Carty, Thomas J.; Cortina, Santo R.; Danley, Dennis E.; Dipesa, Alan J.; Donahue, Kathleen M.; Dombroski, Mark A.; Elliott, Nancy C.; Gabel, Christopher A.; Han, Seungil; Hynes, Thomas R.; LeMotte, Peter K.; Mansour, Mahmoud N.; Marr, Eric S.; Letavic, Michael A.; Pandit, Jayvardhan; Ripin, David B.; Sweeney, Francis J.; Tan, Douglas; Tao, Yong Journal of Medicinal Chemistry, 2005 , vol. 48, # 18 p. 5728 - 5737

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 47.78
LogP 1.8247
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 2

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Other aromatic heterocycles compounds

Key Words

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1-Isopropyl-1H-benzo[d][1,2,3]triazole-6-carbaldehyde

CAS No. 467235-07-0

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