N-butyl-4-chloro-3-nitrobenzamide

Name: N-butyl-4-chloro-3-nitrobenzamide
Brand: ChemScene
Availability: OutOfStock
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CAS No. 59320-12-6
Cat. No. CS-0322844
Molecule weight256.69
Purity95+%
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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N-butyl-4-chloro-3-nitrobenzamide|CS-0322844

Structure of 59320-12-6

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General Information

CAS No. 59320-12-6
Cat. No. CS-0322844
Purity 95+%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₁₃ClN₂O₃
Molecular Weight 256.69
Synonym(s) N-Butyl-4-chloro-3-nitro-benzamide
SMILES CCCCNC(C1=CC([N+]([O-])=O)=C(Cl)C=C1)=O

Synthesis

Route1
- 109-73-9
- In-stock
  
  96-99-1
- ~90%
- 59320-12-6
References
- Freeman, Adam W.; Urvoy, Marie; Criswell, Megan E. Journal of Organic Chemistry, 2005 , vol. 70, # 13 p. 5014 - 5019
Route2
- 109-73-9
- 38818-50-7
- ~%
- 59320-12-6
References
- Liu, Jiwen; Fu, Zice; Wang, Yingcai; Schmitt, Mike; Huang, Alan; Marshall, Derek; Tonn, George; Seitz, Lisa; Sullivan, Tim; Lucy Tang; Collins, Tassie; Medina, Julio Bioorganic and Medicinal Chemistry Letters, 2009 , vol. 19, # 22 p. 6419 - 6423

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 72.24
LogP 2.7781
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 5

Other Classifications

Building Blocks Functional Group Amide

Building Blocks Functional Group Nitro compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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N-butyl-4-chloro-3-nitrobenzamide

CAS No. 59320-12-6

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