Lot numbers can be found on the outside label of a product:
3-Amino-4-nitrobenzoic acid
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CAS No. 6968-22-5
- Cat. No. CS-0071311
- Purity≥96%
- MDL No.MFCD01806270
*For research and further manufacturing use only, not for direct human use.
Structure of 6968-22-5
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General Information
- CAS No. 6968-22-5
- Cat. No. CS-0071311
- Purity ≥96%
- MDL No. MFCD01806270
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₇H₆N₂O₄
- Molecular Weight 182.13
- Synonym(s) 3-amino-4-nitro-benzoic acid
- SMILES [O-][N+](C(C=C1)=C(N)C=C1C(O)=O)=O
Description
3-Amino-4-nitrobenzoic acid features a conjugated system linking an electron-rich amino group and a strongly electron-withdrawing nitro group, enabling precise tuning of reactivity in synthetic transformations. This ortho-substituted aromatic scaffold serves as a key building block for bioactive heterocycles and functional materials, offering enhanced solubility and stability under standard conditions.
Application
3-Amino-4-nitrobenzoic acid serves as a versatile building block in synthetic organic chemistry, enabling access to substituted heterocycles and pharmaceutical intermediates. Its complementary amino and nitro groups facilitate sequential functionalization, while the carboxylic acid supports derivatization via amide or ester formation. The compound exhibits bench stability and enables efficient purification by recrystallization, making it well-suited for iterative synthesis workflows in medicinal chemistry and process development.
Synthesis
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Route1
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In-stock
99512-10-4 - ~83%
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In-stock
6968-22-5
References
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ABBOTT LABORATORIES Patent: WO2004/76424 A1, 2004 ; Location in patent: Page 268 ; WO 2004/076424 A1
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Route2
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In-stock
619-05-6 - ~%
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In-stock
6968-22-5
References
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Angewandte Chemie - International Edition, , vol. 45, # 47 p. 8016 - 8018
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Route3
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100949-13-1 - ~%
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In-stock
6968-22-5
References
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Chemische Berichte, , vol. 11, p. 1734 Chemische Berichte, , vol. 20, p. 407 Chemische Berichte, , vol. 2, p. 435 Chemische Berichte, , vol. 5, p. 199
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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-P330-P362+P364-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 106.46
- LogP 0.8752
- H_Acceptors 4
- H_Donors 2
- Rotatable_Bonds 2
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Key Words
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