2-Bromo-5-cyanobenzoic acid

Name: 2-Bromo-5-cyanobenzoic acid
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 845616-12-8
Cat. No. CS-W019084
Molecule weight226.03
Purity≥98%
MDL No.MFCD11847005

HazMat Fee +

HazMat Fee

An item is classified as a dangerous good if our website displays Hazardous Material (HazMat) information for it. There is a HazMat shipping fee for each item that qualifies as a dangerous good, except in the following scenarios:

The shipment is processed through FedEx Ground under the Limited Quantity option.

Each bottle is packed as an Excepted Quantity, with a maximum of 1g for items in class 6.1 packing group I or II, and up to 25g for all other hazardous materials.

If shipping is charged to your FedEx account, the HazMat fee will be billed directly by the courier. Otherwise, the fee will be included on your invoice. To help you avoid the HazMat fee, we can package a 5g order of a class 6.1 packing group I or II material as five separate 1g units, and a 100g order of any other dangerous good as four 25g units. This packaging adjustment will be made unless you instruct otherwise on your purchase order. Below, you will find the fee schedule from FedEx for handling hazardous materials.

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.

There is a HazMat shipping fee for each item that qualifies as a dangerous good. Please contact our quotation team via email to confirm the details.

*For research and further manufacturing use only, not for direct human use.

Structure of 845616-12-8

Size

Price

Quantity

* Please select Quantity before adding items.

General Information

CAS No. 845616-12-8
Cat. No. CS-W019084
Purity ≥98%
MDL No. MFCD11847005
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₄BrNO₂
Molecular Weight 226.03
Synonym(s) None
SMILES OC(=O)C1=C(Br)C=CC(=C1)C#N

Description

2-Bromo-5-cyanobenzoic acid features a bromine atom at the ortho position and a cyano group at the para position relative to the carboxylic acid, creating a highly functionalized aromatic scaffold. This electronic complementarity enables direct coupling in cross-coupling reactions and facilitates downstream derivatization in synthetic pathways requiring dual activation sites.

Application

2-Bromo-5-cyanobenzoic acid serves as a versatile building block in medicinal chemistry and materials science, enabling efficient access to functionalized aromatic scaffolds. Its compatibility with palladium-catalyzed cross-coupling reactions—particularly Suzuki and Negishi couplings—facilitates the construction of biaryl architectures. The carboxylic acid group allows for direct derivatization or activation, while the bromo and cyano functionalities offer orthogonal handles for further diversification. Bench-stable and readily purified by recrystallization, it supports scalable synthesis and integration into multi-step sequences.

Synthesis

Route1
- In-stock
  
  99767-45-0
- ~67%
- In-stock
  
  845616-12-8
References
- F. HOFFMANN-LA ROCHE AG Patent: WO2005/23260 A1, 2005 ; Location in patent: Page/Page column 48 ; WO 2005/023260 A1
Route2
- 773837-37-9
- In-stock
  
  2840-02-0
- ~69%
- In-stock
  
  845616-12-8
References
- ROTTAPHARM SPA; STASI, Luigi Piero; ROVATI, Lucio Patent: WO2013/139730 A1, 2013 ; Location in patent: Page/Page column 23; 24 ;

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

To search for quality control of cas , please enter both the product number and the lot/batch number.

Computational Chemistry Data

TPSA 61.09
LogP 2.01898
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

2-Bromo-5-cyanobenzoic acid sigma2-Bromo-5-cyanobenzoic acid manufacturer2-Bromo-5-cyanobenzoic acid price2-Bromo-5-cyanobenzoic acid structure2-Bromo-5-cyanobenzoic acid SDSbuy 2-Bromo-5-cyanobenzoic acid2-Bromo-5-cyanobenzoic acid supplier2-Bromo-5-cyanobenzoic acid uses2-Bromo-5-cyanobenzoic acid molecular weightprice of 2-Bromo-5-cyanobenzoic acid2-Bromo-5-cyanobenzoic acid chemical name formula of 2-Bromo-5-cyanobenzoic acid

Salutation:	*Country or Region:
*Applicant Name:	*Organization Name:
*Email Address:	Quantity:
CAS NO. :	Product Name:
Remarks:
Upload Pictures

CAS.No.		Product Name
Applicant Name *		Email Address *
Phone Number *		Organization Name*
Country or Region*		Quantity*
Remarks:

Product Name:
Cat. No.: .		CAS NO. :
Quantity:

2-Bromo-5-cyanobenzoic acid

CAS No. 845616-12-8

Recommended Products