Etoricoxib N1'-oxide

Name: Etoricoxib N1'-oxide
Brand: ChemScene
Availability: OutOfStock
Rating: 5 (1 reviews)

CAS No. 325855-74-1
Cat. No. CS-0255265
Molecule weight374.84
Purity≥98%
MDL No.MFCD30609556

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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+

An item is classified as a dangerous good if our website displays Hazardous Material (HazMat) information for it.

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Structure of 325855-74-1

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General Information

CAS No. 325855-74-1
Cat. No. CS-0255265
Purity ≥98%
MDL No. MFCD30609556
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₈H₁₅ClN₂O₃S
Molecular Weight 374.84
Synonym(s) None
SMILES O=S(C1=CC=C(C2=CC(Cl)=CN=C2C3=C[N+]([O-])=C(C)C=C3)C=C1)(C)=O

Synthesis

Route1
- In-stock
  
  202409-33-4
- ~60%
- 325855-74-1
References
- Chauret, Nathalie; Yergey, James A; Brideau, Christine; Friesen, Richard W; Mancini, Joseph; Riendeau, Denis; Silva, Jose; Styhler, Angela; Trimble, Laird A; Nicoll-Griffith, Deborah A Bioorganic and Medicinal Chemistry Letters, 2001 , vol. 11, # 8 p. 1059 - 1062
Route2
- 221615-75-4
- ~%
- 325855-74-1
References
- Davies, Ian W.; Marcoux, Jean-Francois; Reider, Paul J. Organic Letters, 2001 , vol. 3, # 2 p. 209 - 211

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 73.97
LogP 3.41432
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 3

Other Classifications

Building Blocks Functional Group Sulfone

Building Blocks Functional Group Chloride

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Etoricoxib N1'-oxide

CAS No. 325855-74-1

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