3-Oxo-3-(3-(trifluoromethoxy)phenyl)propanenitrile

Name: 3-Oxo-3-(3-(trifluoromethoxy)phenyl)propanenitrile
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CAS No. 677713-02-9
Cat. No. CS-0468662
Molecule weight229.16
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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3-Oxo-3-(3-(trifluoromethoxy)phenyl)propanenitrile|CS-0468662

Structure of 677713-02-9

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General Information

CAS No. 677713-02-9
Cat. No. CS-0468662
Purity ≥98%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₆F₃NO₂
Molecular Weight 229.16
Synonym(s) 3-Oxo-3-[3-(trifluoromethoxy)phenyl]propanenitrile
SMILES N#CCC(C1=CC=CC(OC(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 50.09
LogP 2.68158
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 3

Other Classifications

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Functional Group Ketone

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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3-Oxo-3-(3-(trifluoromethoxy)phenyl)propanenitrile

CAS No. 677713-02-9

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