Lot numbers can be found on the outside label of a product:
4-Chloro-5-fluoro-2-nitroaniline
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CAS No. 428871-64-1
- Cat. No. CS-0042737
- Purity≥96%
- MDL No.MFCD12828238
*For research and further manufacturing use only, not for direct human use.
Structure of 428871-64-1
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General Information
- CAS No. 428871-64-1
- Cat. No. CS-0042737
- Purity ≥96%
- MDL No. MFCD12828238
- Storage 4°C, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₆H₄ClFN₂O₂
- Molecular Weight 190.56
- Synonym(s) 4-chloro-5-fluoro-2-nitro-phenylamine
- SMILES NC1=CC(F)=C(Cl)C=C1[N+]([O-])=O
Description
4-Chloro-5-fluoro-2-nitroaniline features a trifunctional aromatic core with electron-withdrawing nitro and halogen substituents, enabling direct coupling in cross-coupling and heterocycle synthesis. The ortho-halogen positions facilitate palladium-catalyzed transformations, while the nitro group serves as a handle for selective reduction or further functionalization. This scaffold offers high reactivity under standard conditions with excellent stability during storage and handling.
Application
4-Chloro-5-fluoro-2-nitroaniline serves as a versatile building block in medicinal chemistry, enabling the synthesis of fluorinated heterocycles and bioactive scaffolds. Its orthogonal reactivity profile—combining a nitro group for reduction and halogenation, along with a fluoro substituent—facilitates sequential functionalization. The compound exhibits good bench stability and is compatible with standard coupling reactions, simplifying purification and scale-up in API development workflows.
Synthesis
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Route1
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In-stock
367-22-6 - ~92%
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In-stock
428871-64-1
References
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Okamoto, Osamu; Kobayashi, Kensuke; Kawamoto, Hiroshi; Ito, Satoru; Yoshizumi, Takashi; Yamamoto, Izumi; Hashimoto, Masaya; Shimizu, Atsushi; Takahashi, Hiroyuki; Ishii, Yasuyuki; Ozaki, Satoshi; Ohta, Hisashi Bioorganic and Medicinal Chemistry Letters, 2008 , vol. 18, # 11 p. 3282 - 3285
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Route2
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1026523-37-4 - ~%
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In-stock
428871-64-1
References
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Monge, Antonio; Palop, Juan A.; Cerain, Adela Lopez de; Senador, Virginia; Martinez-Crespo, Francisko J.; et al. Journal of Medicinal Chemistry, 1995 , vol. 38, # 10 p. 1786 - 1792
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Route3
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351-31-5 - ~%
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In-stock
428871-64-1
References
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Monge, Antonio; Palop, Juan A.; Cerain, Adela Lopez de; Senador, Virginia; Martinez-Crespo, Francisko J.; et al. Journal of Medicinal Chemistry, 1995 , vol. 38, # 10 p. 1786 - 1792
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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 69.16
- LogP 1.9695
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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