2-(2,2,2-Trifluoroacetyl)-2,3-dihydro-1H-inden-1-one

Name: 2-(2,2,2-Trifluoroacetyl)-2,3-dihydro-1H-inden-1-one
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CAS No. 576-12-5
Cat. No. CS-0363961
Molecule weight228.17
Purity95+%
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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2-(2,2,2-Trifluoroacetyl)-2,3-dihydro-1H-inden-1-one|CS-0363961

Structure of 576-12-5

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General Information

CAS No. 576-12-5
Cat. No. CS-0363961
Purity 95+%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₇F₃O₂
Molecular Weight 228.17
Synonym(s) 2-TRIFLUOROACETYL-1-INDANONE
SMILES C1=CC=C2C(=C1)CC(C2=O)C(=O)C(F)(F)F

Synthesis

Route1
- 383-63-1
- 83-33-0
- ~55%
- 576-12-5
References
- Buettner, Stefan; Kelzhanova, Nazken K.; Abilov, Zharylkasyn A.; Villinger, Alexander; Langer, Peter Tetrahedron, 2012 , vol. 68, # 18 p. 3654 - 3668
Route2
- 407-38-5
- 83-33-0
- ~%
- 576-12-5
References
- Riofski, Mark V.; John, Jinu P.; Zheng, Mary M.; Kirshner, Julia; Colby, David A. Journal of Organic Chemistry, 2011 , vol. 76, # 10 p. 3676 - 3683

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

Quality Control

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Computational Chemistry Data

TPSA 34.14
LogP 2.173
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Ketone

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2-(2,2,2-Trifluoroacetyl)-2,3-dihydro-1H-inden-1-one

CAS No. 576-12-5

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General Information

Synthesis

References