Lot numbers can be found on the outside label of a product:
4,5-Dimethyl-2-nitroaniline
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CAS No. 6972-71-0
- Cat. No. CS-W010808
- Purity≥97%
- MDL No.MFCD00007811
*For research and further manufacturing use only, not for direct human use.
Structure of 6972-71-0
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General Information
- CAS No. 6972-71-0
- Cat. No. CS-W010808
- Purity ≥97%
- MDL No. MFCD00007811
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₁₀N₂O₂
- Molecular Weight 166.18
- Synonym(s) 6-Nitro-3,4-xylidine
- SMILES CC1=CC(N)=C([N+]([O-])=O)C=C1C
Description
4,5-Dimethyl-2-nitroaniline features a nitro group at the ortho position relative to an amino functionality, creating a strongly electron-withdrawing effect that enhances reactivity in coupling processes. The methyl substituents at the 4 and 5 positions provide steric protection and improve solubility in organic solvents. This compound serves as a key intermediate in the synthesis of functional dyes and pharmaceutical precursors, particularly where controlled electrophilic substitution is required.
Application
4,5-Dimethyl-2-nitroaniline serves as a valuable intermediate in the synthesis of functionalized heterocycles and pharmaceutical scaffolds. Its electron-rich aromatic core facilitates efficient electrophilic substitution and transition-metal-catalyzed coupling reactions. The nitro group enables selective reduction to the amine, while the methyl substituents enhance metabolic stability and modulate electronic properties. This compound exhibits good bench stability and is compatible with standard purification methods, making it well-suited for iterative synthetic workflows in medicinal chemistry and process development.
Synthesis
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Route1
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In-stock
6970-77-0 - ~99%
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In-stock
6972-71-0
References
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Maslennikova, T. A.; Shaburov, V. V.; El'tsov, A. V. J. Gen. Chem. USSR (Engl. Transl.), 1981 , vol. 51, # 1 p. 134 - 146,119 - 128
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Route2
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95-64-7 - ~42%
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In-stock
6972-71-0
References
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Bhuiyan, M Delower H; Mahon, Andrew B.; Jensen, Paul; Clegg, Jack K.; Try, Andrew C. European Journal of Organic Chemistry, 2009 , # 5 p. 687 - 698
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Route3
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In-stock
2198-54-1 - ~%
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In-stock
6972-71-0
References
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Acta Chemica Scandinavica (1947-1973), , vol. 21, p. 983 - 992
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS06
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Signal Word : Danger
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UN#: 2811
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Class : 6.1
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Packing Group : Ⅲ
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Hazard Statements : H302+H312-H315-H319-H331-H335
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Precautionary Statements : P264-P270-P330-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 69.16
- LogP 1.79384
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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