4-(3,5-Bis(trifluoromethyl)phenyl)-4-oxobutanoic acid

Name: 4-(3,5-Bis(trifluoromethyl)phenyl)-4-oxobutanoic acid
Brand: ChemScene
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CAS No. 898788-04-0
Cat. No. CS-0578829
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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4-(3,5-Bis(trifluoromethyl)phenyl)-4-oxobutanoic acid|CS-0578829

Structure of 898788-04-0

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General Information

CAS No. 898788-04-0
Cat. No. CS-0578829
Purity ≥98%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₈F₆O₃
Molecular Weight 314.18
Synonym(s) 4-(3,5-Ditrifluoromethylphenyl)-4-oxobutyric acid
SMILES O=C(O)CCC(C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)=O

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 54.37
LogP 3.7717
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 4

Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Functional Group Ketone

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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4-(3,5-Bis(trifluoromethyl)phenyl)-4-oxobutanoic acid

CAS No. 898788-04-0

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