3-Bromo-1,2-diamino-5-fluorobenzene

Name: 3-Bromo-1,2-diamino-5-fluorobenzene
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 115440-10-3
Cat. No. CS-0211820
Purity≥98%
MDL No.MFCD08741398

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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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3-Bromo-1,2-diamino-5-fluorobenzene|CS-0211820

Structure of 115440-10-3

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General Information

CAS No. 115440-10-3
Cat. No. CS-0211820
Purity ≥98%
MDL No. MFCD08741398
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₆BrFN₂
Molecular Weight 205.03
Synonym(s) 3-Bromo-5-fluorobenzene-1,2-diamine
SMILES C1=C(C=C(C(=C1Br)N)N)F

Description

3-Bromo-1,2-diamino-5-fluorobenzene features a strategically positioned bromo and fluoro substituent flanking a diamino core, enabling selective functionalization in complex molecule assembly. This electron-rich scaffold integrates readily into transition metal-catalyzed coupling reactions under standard conditions. The pendant amine groups enhance solubility and provide anchoring points for downstream derivatization, making it a robust building block for advanced synthetic intermediates.

Application

3-Bromo-1,2-diamino-5-fluorobenzene serves as a versatile building block for the synthesis of functionalized heterocycles and pharmaceutical intermediates. Its orthogonal amino and halogen functionalities enable sequential coupling reactions, including Pd-catalyzed cross-couplings and electrophilic substitutions. The molecule exhibits good bench stability and facilitates straightforward purification, making it well-suited for iterative synthetic workflows in medicinal chemistry and process development.

Synthesis

Route1
- In-stock
  
  10472-88-5
- ~98%
- In-stock
  
  115440-10-3
References
- F. HOFFMANN-LA ROCHE AG; ALIAGAS-MARTIN, Ignacio; CRAWFORD, James; LEE, Wendy; MATHIEU, Simon; RUDOLPH, Joachim Patent: WO2013/26914 A1, 2013 ; Location in patent: Page/Page column 118 ; WO 2013/026914 A1
Route2
- In-stock
  
  364-78-3
- ~%
- In-stock
  
  115440-10-3
References
- F. HOFFMANN-LA ROCHE AG; ALIAGAS-MARTIN, Ignacio; CRAWFORD, James; LEE, Wendy; MATHIEU, Simon; RUDOLPH, Joachim Patent: WO2013/26914 A1, 2013 ; WO 2013/026914 A1

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-H319
Precautionary Statements : P264-P270-P280-P330-P501

Quality Control

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Computational Chemistry Data

TPSA 52.04
LogP 1.7526
H_Acceptors 2
H_Donors 2
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Fluoride

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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3-Bromo-1,2-diamino-5-fluorobenzene

CAS No. 115440-10-3

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