Lot numbers can be found on the outside label of a product:
2-(tert-Butyl)-4-nitrophenol
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CAS No. 6683-81-4
- Cat. No. CS-0154926
- Purity≥96%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 6683-81-4
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General Information
- CAS No. 6683-81-4
- Cat. No. CS-0154926
- Purity ≥96%
- MDL No. None
- Storage 4°C, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₀H₁₃NO₃
- Molecular Weight 195.22
- Synonym(s) 2-TERT-BUTYL-4-NITROPHENOL
- SMILES CC(C)(C)C1=C(C=CC(=C1)[N+](=O)[O-])O
Description
2-(tert-Butyl)-4-nitrophenol features a sterically hindered tert-butyl group flanking a nitro-substituted aromatic ring, enhancing stability and solubility in organic media. This electron-deficient phenolic scaffold enables direct incorporation into coupling reactions and serves as a robust building block for functionalized intermediates in synthetic chemistry.
Application
2-(tert-Butyl)-4-nitrophenol serves as a stable, bench-ready building block for nitroarene transformations and heterocycle synthesis. Its ortho-tert-butyl group provides steric protection and enhances solubility, while the para-nitro group enables reliable reduction to aniline derivatives or participation in coupling reactions. The compound exhibits excellent functional group tolerance and facilitates straightforward purification, making it well-suited for iterative synthetic sequences in medicinal chemistry and materials science applications.
Synthesis
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Route1
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100-02-7 -
115-11-7
- ~%
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In-stock
6683-81-4
References
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Ipatieff; Pines; Friedman Journal of the American Chemical Society, 1938 , vol. 60, p. 2495
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Route2
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6683-78-9
- ~%
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In-stock
6683-81-4
References
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Baas,J.M.A.; Wepster,B.M. Recueil des Travaux Chimiques des Pays-Bas, 1966 , vol. 85, p. 457 - 466
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Route3
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6683-80-3
- ~%
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In-stock
6683-81-4
References
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Baas,J.M.A.; Wepster,B.M. Recueil des Travaux Chimiques des Pays-Bas, 1966 , vol. 85, p. 457 - 466
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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-H315-H319-H335
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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 63.37
- LogP 2.5979
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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