4-Fluoro-1-nitro-2-(trifluoromethoxy)benzene

Name: 4-Fluoro-1-nitro-2-(trifluoromethoxy)benzene
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 123572-65-6
Cat. No. CS-0157070
Molecule weight225.10
Purity≥98%
MDL No.MFCD15527446

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.

4-Fluoro-1-nitro-2-(trifluoromethoxy)benzene|CS-0157070

Structure of 123572-65-6

Size

Price

Quantity

* Please select Quantity before adding items.

General Information

CAS No. 123572-65-6
Cat. No. CS-0157070
Purity ≥98%
MDL No. MFCD15527446
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₃F₄NO₃
Molecular Weight 225.10
Synonym(s) 4-fluoro-2-(trifluoromethoxy)nitrobenzene
SMILES C1=CC(=C(C=C1F)OC(F)(F)F)[N+](=O)[O-]

Description

4-Fluoro-1-nitro-2-(trifluoromethoxy)benzene features a trifluoromethoxy group flanked by electron-withdrawing nitro and fluoro substituents, creating a highly electron-deficient aromatic core. This configuration enables efficient coupling in cross-coupling reactions and facilitates nucleophilic substitution under mild conditions. The compound exhibits bench-stable handling characteristics and demonstrates compatibility with diverse reaction environments.

Application

4-Fluoro-1-nitro-2-(trifluoromethoxy)benzene serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions due to its ortho-fluoro and nitro functionalities. The trifluoromethoxy group enhances metabolic stability and lipophilicity, while the nitro group provides a handle for reduction to an amine or further functionalization. Bench-stable and compatible with standard synthetic workflows, it facilitates efficient construction of complex heterocyclic scaffolds and API intermediates.

Synthesis

Route1
- In-stock
  
  1077-01-6
- ~16%
- In-stock
  
  123572-65-6
References
- EXELIXIS, INC.; Daiichi Sankyo Company, Limited; NUSS, John; WILLIAMS, Matthew; MOHAN, Raju; MARTIN, Richard; WANG, Tie-lin; TSURUOKA, Hiroyuki; AOKI, Kazumasa; HONZUMI, Masatoshi; ASOH, Yusuke; SAITO, Keiji; HOMMA, Tsuyoshi Patent: WO2010/42626 A1, 2010 ; Location in patent: Page/Page column 37-38 ; WO 2010/042626 A1
Route2
- In-stock
  
  1077-01-6
- ~%
- In-stock
  
  123572-65-6
- In-stock
  
  123572-64-5
References
- ELBION GMBH; WYETH Patent: US2009/143367 A1, 2009 ; Location in patent: Page/Page column 36 ; US 20090143367 A1

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS06
Signal Word : Danger	UN#: 2810
Class : 6.1	Packing Group : Ⅲ
Hazard Statements : H301-H311-H331
Precautionary Statements : P261-P264-P270-P271-P280-P285-P302+P352-P304+P340-P330-P361-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 52.37
LogP 2.6325
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Nitro compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

123572-65-6 sigma123572-65-6 manufacturer123572-65-6 price123572-65-6 structure123572-65-6 SDSbuy 123572-65-6123572-65-6 supplier123572-65-6 uses123572-65-6 molecular weightprice of 123572-65-6123572-65-6 chemical name formula of 123572-65-6

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:

4-Fluoro-1-nitro-2-(trifluoromethoxy)benzene

CAS No. 123572-65-6

Recommended Products