2-Bromo-4,5-difluorobenzoic acid

Name: 2-Bromo-4,5-difluorobenzoic acid
Brand: ChemScene
Availability: InStock
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CAS No. 64695-84-7
Cat. No. CS-W012865
Purity≥98%
MDL No.MFCD04973422

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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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2-Bromo-4,5-difluorobenzoic acid|CS-W012865

Structure of 64695-84-7

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General Information

CAS No. 64695-84-7
Cat. No. CS-W012865
Purity ≥98%
MDL No. MFCD04973422
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₃BrF₂O₂
Molecular Weight None
Synonym(s) None
SMILES O=C(O)C1=CC(F)=C(F)C=C1Br

Description

2-Bromo-4,5-difluorobenzoic acid features a trifunctional aromatic core with bromine and two fluorine substituents positioned ortho to the carboxylic acid group. This electron-deficient scaffold enables direct coupling in cross-coupling reactions and serves as a key building block for bioactive molecules in medicinal chemistry and agrochemical development.

Application

2-Bromo-4,5-difluorobenzoic acid serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling direct incorporation of halogenated fluorinated aryl motifs. Its carboxylic acid functionality facilitates amide coupling, esterification, and Suzuki-Miyaura cross-coupling reactions under standard conditions. The ortho-bromine and meta-fluorine substituents provide complementary reactivity for sequential functionalization, while the molecule exhibits good bench stability and ease of purification.

Synthesis

Route1
- 348-61-8
- 75-36-5
- ~51%
- In-stock
  
  64695-84-7
References
- PFIZER INC. Patent: EP342849 A3, 1990 ;
Route2
- In-stock
  
  942-06-3
- ~%
- In-stock
  
  64695-84-7
References
- Synthetic Communications, , vol. 22, # 21 p. 3067 - 3074
Route3
- In-stock
  
  18959-30-3
- ~%
- In-stock
  
  64695-84-7
References
- Synthetic Communications, , vol. 22, # 21 p. 3067 - 3074

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS06
Signal Word : Danger	UN#: 2811
Class : 6.1	Packing Group : Ⅲ
Hazard Statements : H301
Precautionary Statements : P264-P270-P301+P310-P330-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 37.3
LogP 2.4255
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Bioactive Molecules Dye and Bio-assay Reagents

Building Blocks Functional Group Fluoride

Building Blocks Functional Group Carboxylic Acid

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2-Bromo-4,5-difluorobenzoic acid

CAS No. 64695-84-7

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