Lot numbers can be found on the outside label of a product:
2-Nitro-4-(trifluoromethyl)benzaldehyde
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CAS No. 109466-87-7
- Cat. No. CS-W005139
- Purity≥98%
- MDL No.MFCD06797985
*For research and further manufacturing use only, not for direct human use.
Structure of 109466-87-7
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General Information
- CAS No. 109466-87-7
- Cat. No. CS-W005139
- Purity ≥98%
- MDL No. MFCD06797985
- Storage 4°C, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₄F₃NO₃
- Molecular Weight 219.12
- Synonym(s) 2-nitro-4-trifluoromethylbenzaldehyde
- SMILES FC(F)(F)C1=CC([N+]([O-])=O)=C(C=O)C=C1
Description
2-Nitro-4-(trifluoromethyl)benzaldehyde features a para-nitro group and a trifluoromethyl substituent flanking the aldehyde functionality, creating a highly electron-deficient aromatic system. This combination enhances reactivity in nucleophilic addition processes and facilitates efficient coupling reactions. The molecule exhibits bench-stable behavior under standard conditions and demonstrates favorable solubility in common organic solvents. Its unique electronic profile makes it suitable for synthesizing advanced intermediates in pharmaceutical and agrochemical development.
Application
2-Nitro-4-(trifluoromethyl)benzaldehyde serves as a versatile building block in medicinal and agrochemical synthesis, enabling efficient access to substituted heterocycles and functionalized aromatic systems. Its dual electron-withdrawing nitro and trifluoromethyl groups enhance electrophilicity at the carbonyl center, facilitating nucleophilic addition and condensation reactions. The compound exhibits excellent bench stability and compatibility with standard purification methods, making it well-suited for scalable synthesis workflows.
Synthesis
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Route1
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In-stock
778-94-9 - ~56%
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In-stock
109466-87-7
References
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Lewandowska, Elzbieta; Kinastowski, Stefan; Wnuk, Stanislaw F. Canadian Journal of Chemistry, 2002 , vol. 80, # 2 p. 192 - 199
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Route2
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109466-86-6 - ~%
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In-stock
109466-87-7
References
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Journal of Medicinal Chemistry, , vol. 30, # 10 p. 1774 - 1779
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Route3
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In-stock
400-98-6 - ~%
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In-stock
109466-87-7
References
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Journal of Medicinal Chemistry, , vol. 30, # 10 p. 1774 - 1779
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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 : H317-H319
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Precautionary Statements : P261-P264-P272-P280-P302+P352-P363-P501
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Quality Control
Computational Chemistry Data
- TPSA 60.21
- LogP 2.4261
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 2
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Key Words
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