Lot numbers can be found on the outside label of a product:
1-Fluoro-4-methyl-2-nitrobenzene
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CAS No. 446-11-7
- Cat. No. CS-W002019
- Purity≥98%
- MDL No.MFCD00007060
*For research and further manufacturing use only, not for direct human use.
Structure of 446-11-7
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General Information
- CAS No. 446-11-7
- Cat. No. CS-W002019
- Purity ≥98%
- MDL No. MFCD00007060
- Storage -20°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₇H₆FNO₂
- Molecular Weight 155.13
- Synonym(s) 4-Fluoro-3-nitrotoluene
- SMILES Cc1ccc(c(c1)[N+](=O)[O-])F
Description
1-Fluoro-4-methyl-2-nitrobenzene features a fluorine atom at the ortho position relative to a nitro group, creating a highly electron-deficient aromatic system. This combination enables direct electrophilic substitution and facilitates transition metal-catalyzed coupling reactions. The methyl substituent enhances solubility and provides a handle for further functionalization. The molecule exhibits excellent bench stability and compatibility with standard synthetic protocols in medicinal chemistry and materials science applications.
Application
1-Fluoro-4-methyl-2-nitrobenzene serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling palladium-catalyzed cross-coupling reactions due to its activated aryl fluoride functionality. The ortho-nitro group enhances electrophilicity, facilitating nucleophilic substitution under mild conditions. Its bench-stable nature and compatibility with diverse functional groups support efficient route development for complex heterocyclic scaffolds and API intermediates.
Synthesis
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Route1
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89-62-3 - ~%
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In-stock
446-11-7
References
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Zeng, Lei; Li, Jiaming; Muller, Michaela; Yan, Sherry; Mujtaba, Shiraz; Pan, Chongfeng; Wang, Zhiyong; Zhou, Ming-Ming Journal of the American Chemical Society, 2005 , vol. 127, # 8 p. 2376 - 2377
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Route2
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In-stock
452-84-6 - ~%
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In-stock
446-11-7
References
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American Home Products Corporation Patent: US4032639 A1, 1977 ;
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Route3
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352-32-9
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In-stock
446-10-6 -
In-stock
446-11-7
References
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Laali; Gettwert Journal of Organic Chemistry, 2001 , vol. 66, # 1 p. 35 - 40
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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 43.14
- LogP 2.04232
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 1
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Key Words
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