Lot numbers can be found on the outside label of a product:
2,3,6-Trichloroaniline
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CAS No. 88963-39-7
- Cat. No. CS-0166749
- Purity≥97%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 88963-39-7
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General Information
- CAS No. 88963-39-7
- Cat. No. CS-0166749
- Purity ≥97%
- MDL No. None
- Storage 4°C, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₆H₄Cl₃N
- Molecular Weight 196.46
- Synonym(s) None
- SMILES NC1=C(Cl)C=CC(Cl)=C1Cl
Description
2,3,6-Trichloroaniline is a chlorinated aromatic amine featuring three chlorine atoms positioned at the 2, 3, and 6 ring sites. This electron-deficient aniline derivative exhibits enhanced stability and reactivity in nucleophilic substitution processes. The compound serves as a key intermediate in the synthesis of specialty dyes, agrochemicals, and pharmaceuticals, particularly where halogenated aromatic scaffolds are required.
Application
2,3,6-Trichloroaniline serves as a valuable building block in the synthesis of pharmaceutical intermediates and agrochemicals. Its three chlorine substituents provide enhanced electrophilic character and stability under standard reaction conditions, enabling selective functionalization at the amino position. The compound exhibits good bench stability and facilitates efficient coupling reactions, making it a practical choice for constructing complex heterocyclic scaffolds and advanced synthetic intermediates in industrial R&D workflows.
Synthesis
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Route1
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88963-38-6 - ~65%
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In-stock
88963-39-7
References
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Ayyangar, N. R.; Kalkote, U. R.; Nikrad, P. V. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1983 , vol. 22, # 9 p. 872 - 877
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Route2
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27864-13-7
- ~%
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In-stock
88963-39-7
References
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Hueffer Chemische Berichte, 1907 , vol. 40, p. 457
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Route3
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43192-05-8
- ~%
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In-stock
88963-39-7
References
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Ayyangar, N. R.; Kalkote, U. R.; Nikrad, P. V. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1983 , vol. 22, # 9 p. 872 - 877
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H302-H319
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Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 26.02
- LogP 3.229
- H_Acceptors 1
- H_Donors 1
- Rotatable_Bonds 0
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