1-(2,2,2-Trifluoroethyl)-1h-pyrazole-4-carbaldehyde

Name: 1-(2,2,2-Trifluoroethyl)-1h-pyrazole-4-carbaldehyde
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Availability: OutOfStock
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CAS No. 790254-33-0
Cat. No. CS-0230760
Molecule weight178.11
Purity≥97%
MDL No.None

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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+
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1-(2,2,2-Trifluoroethyl)-1h-pyrazole-4-carbaldehyde|CS-0230760

Structure of 790254-33-0

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General Information

CAS No. 790254-33-0
Cat. No. CS-0230760
Purity ≥97%
MDL No. None
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₅F₃N₂O
Molecular Weight 178.11
Synonym(s) 1-(2,2,2-Trifluoro-ethyl)-1H-pyrazole-4-carbaldehyde
SMILES C1=NN(C=C1C=O)CC(F)(F)F

Synthesis

Route1
- 120186-97-2
- 5042-29-5
- ~83%
- 790254-33-0
References
- GLAXO GROUP LIMITED Patent: WO2004/94430 A1, 2004 ; Location in patent: Page 25 ; WO 2004/094430 A1
Route2
- In-stock
  
  433-06-7
- In-stock
  
  35344-95-7
- ~40%
- 790254-33-0
References
- ELI LILLY AND COMPANY Patent: WO2008/141020 A1, 2008 ; Location in patent: Page/Page column 61 ; WO 2008/141020 A1

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 34.89
LogP 1.2579
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Aldehyde

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Key Words

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1-(2,2,2-Trifluoroethyl)-1h-pyrazole-4-carbaldehyde

CAS No. 790254-33-0

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General Information

Synthesis

References