Methyl 4-bromo-3-nitrobenzoate

Name: Methyl 4-bromo-3-nitrobenzoate
Brand: ChemScene
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CAS No. 2363-16-8
Cat. No. CS-W005350
Purity≥97%
MDL No.MFCD00553089

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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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Methyl 4-bromo-3-nitrobenzoate|CS-W005350

Structure of 2363-16-8

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General Information

CAS No. 2363-16-8
Cat. No. CS-W005350
Purity ≥97%
MDL No. MFCD00553089
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₆BrNO₄
Molecular Weight 260.04
Synonym(s) 4-Bromo-3-nitrobenzoic Acid Methyl Ester
SMILES C1=C(C=CC(=C1[N+]([O-])=O)Br)C(OC)=O

Application

Methyl 4-bromo-3-nitrobenzoate serves as a versatile building block in synthetic organic chemistry, enabling palladium-catalyzed cross-coupling reactions due to its well-defined bromine functionality. The nitro group provides a robust handle for selective reduction and further functionalization, while the methyl ester supports controlled hydrolysis or derivatization. Its bench-stable nature and compatibility with standard reaction conditions make it ideal for constructing complex heterocyclic scaffolds and pharmaceutical intermediates.

Synthesis

Route1
- 67-56-1
- In-stock
  
  6319-40-0
- ~87%
- In-stock
  
  2363-16-8
References
- Dragovich, Peter S.; Zhao, Guiling; Baumeister, Timm; Bravo, Brandon; Giannetti, Anthony M.; Ho, Yen-Ching; Hua, Rongbao; Li, Guangkun; Liang, Xiaorong; Ma, Xiaolei; O'Brien, Thomas; Oh, Angela; Skelton, Nicholas J.; Wang, Chengcheng; Wang, Weiru; Wang, Yunli; Xiao, Yang; Yuen, Po-Wai; Zak, Mark; Zhao, Qiang; Zheng, Xiaozhang Bioorganic and Medicinal Chemistry Letters, 2014 , vol. 24, # 3 p. 954 - 962
Route2
- 186581-53-3
- In-stock
  
  6319-40-0
- ~%
- In-stock
  
  2363-16-8
References
- Chemische Berichte, , vol. 98, p. 1879 - 1892

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

Quality Control

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Computational Chemistry Data

TPSA 69.44
LogP 2.1439
H_Acceptors 4
H_Donors 0
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Methyl 4-bromo-3-nitrobenzoate

CAS No. 2363-16-8

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