4-Chloro-5-trifluoromethyl-o-phenylenediamine

Name: 4-Chloro-5-trifluoromethyl-o-phenylenediamine
Brand: ChemScene
Availability: InStock
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CAS No. 157590-59-5
Cat. No. CS-W002384
Purity≥97%
MDL No.MFCD00119550

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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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4-Chloro-5-trifluoromethyl-o-phenylenediamine|CS-W002384

Structure of 157590-59-5

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General Information

CAS No. 157590-59-5
Cat. No. CS-W002384
Purity ≥97%
MDL No. MFCD00119550
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₆ClF₃N₂
Molecular Weight 210.58
Synonym(s) 4-Chloro-5-(trifluoromethyl)benzene-1,2-diamine
SMILES ClC1=CC(N)=C(N)C=C1C(F)(F)F

Description

4-Chloro-5-trifluoromethyl-o-phenylenediamine features a bifunctional diamine scaffold flanked by electron-withdrawing chlorine and trifluoromethyl groups, enhancing reactivity in coupling processes. This bench-stable compound integrates readily into heterocyclic architectures and serves as a key intermediate in the synthesis of advanced pharmaceuticals and functional materials.

Application

4-Chloro-5-trifluoromethyl-o-phenylenediamine serves as a versatile building block for heterocyclic synthesis, enabling efficient access to substituted quinazolines and benzimidazoles via standard cyclization protocols. The ortho-diamine scaffold facilitates metal-catalyzed coupling reactions, while the chloro and trifluoromethyl groups offer orthogonal functional handles for further derivatization. Bench-stable and compatible with common purification methods, it supports scalable synthesis in medicinal chemistry and materials development.

Synthesis

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  35375-74-7
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References
- Journal of Medicinal Chemistry, , vol. 38, # 22 p. 4367 - 4379
Route2
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References
- Journal of Medicinal Chemistry, , vol. 38, # 22 p. 4367 - 4379
Route3
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  157590-59-5
References
- Journal of Medicinal Chemistry, , vol. 38, # 22 p. 4367 - 4379

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 52.04
LogP 2.5232
H_Acceptors 2
H_Donors 2
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Fluoride

Building Blocks Functional Group Chloride

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

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4-Chloro-5-trifluoromethyl-o-phenylenediamine

CAS No. 157590-59-5

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