3-Amino-4-iodobenzotrifluoride

Name: 3-Amino-4-iodobenzotrifluoride
Brand: ChemScene
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CAS No. 105202-02-6
Cat. No. CS-0041149
Purity≥95%
MDL No.MFCD04972658

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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-Amino-4-iodobenzotrifluoride|CS-0041149

Structure of 105202-02-6

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General Information

CAS No. 105202-02-6
Cat. No. CS-0041149
Purity ≥95%
MDL No. MFCD04972658
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₅F₃IN
Molecular Weight 287.02
Synonym(s) 2-Iodo-5-(trifluoromethyl)aniline
SMILES NC1=CC(C(F)(F)F)=CC=C1I

Description

3-Amino-4-iodobenzotrifluoride is a fluorinated aromatic building block featuring a trifluoromethyl group and orthogonal reactive handles: an amino function for coupling and an iodine atom for cross-coupling reactions. This combination enables efficient diversification in medicinal chemistry and materials science applications under standard conditions.

Application

3-Amino-4-iodobenzotrifluoride serves as a versatile building block for palladium-catalyzed cross-coupling reactions, enabling efficient access to biaryl scaffolds in medicinal chemistry and materials science. The ortho-amino and para-iodo functionalities offer orthogonal reactivity, facilitating sequential transformations. Bench-stable and compatible with standard purification methods, it functions reliably in Suzuki, Stille, and Buchwald–Hartwig coupling protocols.

Synthesis

Route1
- In-stock
  
  400-97-5
- ~90%
- In-stock
  
  105202-02-6
References
- US5079245 A1, ;
Route2
- 98-16-8
- ~37%
- In-stock
  
  105202-02-6
References
- Synthesis, , # 7 p. 1183 - 1189
Route3
- In-stock
  
  400-98-6
- ~%
- In-stock
  
  105202-02-6
References
- Angewandte Chemie - International Edition, , vol. 50, # 32 p. 7354 - 7358

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 26.02
LogP 2.8922
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Iodide

Building Blocks Functional Group Fluoride

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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3-Amino-4-iodobenzotrifluoride

CAS No. 105202-02-6

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