3-Chloro-4-(trifluoromethyl)aniline

Name: 3-Chloro-4-(trifluoromethyl)aniline
Brand: ChemScene
Availability: InStock
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CAS No. 445-13-6
Cat. No. CS-W015715
Purity≥97%
MDL No.MFCD00278479

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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-Chloro-4-(trifluoromethyl)aniline|CS-W015715

Structure of 445-13-6

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General Information

CAS No. 445-13-6
Cat. No. CS-W015715
Purity ≥97%
MDL No. MFCD00278479
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₅ClF₃N
Molecular Weight 195.57
Synonym(s) 4-AMino-2-chlorobenzotrifluoride[3-Chloro-4-(trifluoroMethyl)aniline]
SMILES NC1=CC=C(C(F)(F)F)C(Cl)=C1

Description

3-Chloro-4-(trifluoromethyl)aniline delivers a robust electron-deficient aromatic scaffold featuring a chloro group at the meta position and a strongly withdrawing trifluoromethyl moiety. This combination enhances electrophilic reactivity while maintaining bench-stable handling characteristics, enabling direct incorporation into pharmaceutical intermediates, agrochemicals, and functional materials via coupling reactions.

Application

3-Chloro-4-(trifluoromethyl)aniline serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient construction of heterocyclic scaffolds via palladium-catalyzed coupling reactions. Its electron-deficient aryl core enhances reactivity in cross-coupling processes, while the chloro and trifluoromethyl groups provide orthogonal functional handles for downstream derivatization. Bench-stable and amenable to standard purification techniques, it functions reliably in multi-step syntheses requiring high functional group tolerance.

Synthesis

Route1
- 75-63-8
- 108-42-9
- ~13%
- In-stock
  
  445-14-7
- In-stock
  
  445-13-6
- In-stock
  
  432-21-3
References
- Tordeux, Marc; Langlois, Bernard; Wakselman, Claude Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1990 , # 8 p. 2293 - 2299
Route2
- 100-34-5
- ~%
- In-stock
  
  445-13-6
References
- Bayer Aktiengesellschaft Patent: US4162329 A1, 1979 ;
Route3
- 7587-89-5
- ~%
- In-stock
  
  445-13-6
References
- Gen.Aniline Works Patent: US2093115 , 1936 ; Full Text Show Details I.G.Farbenind. Patent: DE672371 , 1935 ; Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 25, p. 119

Safety Information

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GHS Pictogram :	GHS No : GHS06
Signal Word : Danger	UN#: 2810
Class : 6.1	Packing Group : Ⅲ
Hazard Statements : H301-H311-H315-H319-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 26.02
LogP 2.941
H_Acceptors 1
H_Donors 1
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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3-Chloro-4-(trifluoromethyl)aniline

CAS No. 445-13-6

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