3,4,5-Trichloroaniline

Name: 3,4,5-Trichloroaniline
Brand: ChemScene
Availability: InStock
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CAS No. 634-91-3
Cat. No. CS-W005766
Purity≥98%
MDL No.MFCD00007769

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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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Structure of 634-91-3

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General Information

CAS No. 634-91-3
Cat. No. CS-W005766
Purity ≥98%
MDL No. MFCD00007769
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₄Cl₃N
Molecular Weight 196.46
Synonym(s) NSC 115260
SMILES NC1=CC(Cl)=C(Cl)C(Cl)=C1

Description

3,4,5-Trichloroaniline features a highly chlorinated aromatic ring system that imparts exceptional electron deficiency, enabling efficient coupling in cross-coupling and electrophilic substitution reactions. This bench-stable derivative serves as a key building block for advanced pharmaceutical intermediates and specialty agrochemicals.

Application

3,4,5-Trichloroaniline serves as a valuable building block for pharmaceutical and agrochemical synthesis, offering high functional group density for downstream derivatization. Its electron-deficient aromatic ring facilitates electrophilic substitution and coupling reactions, while the amine functionality enables direct incorporation into heterocyclic scaffolds. The compound exhibits good bench stability and is readily purified by recrystallization, supporting efficient integration into multi-step synthetic sequences.

Synthesis

Route1
- In-stock
  
  20098-48-0
- ~96%
- In-stock
  
  634-91-3
References
- Garcia, Nuria; Garcia-Garcia, Patricia; Fernandez-Rodriguez, Manuel A.; Rubio, Ruben; Pedrosa, Maria R.; Arnaiz, Francisco J.; Sanz, Roberto Advanced Synthesis and Catalysis, 2012 , vol. 354, # 2-3 p. 321 - 327

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS06,GHS08,GHS09
Signal Word : Danger	UN#: 2811
Class : 6.1	Packing Group : Ⅲ
Hazard Statements : H301+H311+H331-H373-H410
Precautionary Statements : P260-P261-P264-P270-P271-P273-P280-P302+P352-P304+P340-P330-P361+P364-P391-P405-P501

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Computational Chemistry Data

TPSA 26.02
LogP 3.229
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

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3,4,5-Trichloroaniline

CAS No. 634-91-3

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