2,2,2-Trifluoro-1-(4-isopropylphenyl)ethan-1-one

Name: 2,2,2-Trifluoro-1-(4-isopropylphenyl)ethan-1-one
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CAS No. 124211-72-9
Cat. No. CS-0443131
Purity≥98%
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+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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2,2,2-Trifluoro-1-(4-isopropylphenyl)ethan-1-one|CS-0443131

Structure of 124211-72-9

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General Information

CAS No. 124211-72-9
Cat. No. CS-0443131
Purity ≥98%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₁₁F₃O
Molecular Weight 216.20
Synonym(s) 4'-iso-Propyl-2,2,2-trifluoroacetophenone
SMILES CC(C)C1=CC=C(C=C1)C(=O)C(F)(F)F

Synthesis

Route1
- 98-82-8
- 96254-05-6
- ~77%
- 124211-72-9
References
- Chemistry Letters, , # 5 p. 783 - 786
Route2
- 6442-87-1
- In-stock
  
  586-61-8
- ~72%
- 124211-72-9
References
- Journal of Medicinal Chemistry, , vol. 53, # 15 p. 5667 - 5675

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

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Computational Chemistry Data

TPSA 17.07
LogP 3.555
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Ketone

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2,2,2-Trifluoro-1-(4-isopropylphenyl)ethan-1-one

CAS No. 124211-72-9

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General Information

Synthesis

References