Lot numbers can be found on the outside label of a product:
2-Chloro-3-(trifluoromethyl)benzaldehyde
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CAS No. 93118-03-7
- Cat. No. CS-W015203
- Purity≥98%
- MDL No.MFCD00792414
*For research and further manufacturing use only, not for direct human use.
Structure of 93118-03-7
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General Information
- CAS No. 93118-03-7
- Cat. No. CS-W015203
- Purity ≥98%
- MDL No. MFCD00792414
- Storage 4°C, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₄ClF₃O
- Molecular Weight 208.56
- Synonym(s) 2-Chloro-3-Trifluoromethylbenzaldehyde
- SMILES O=CC1=CC=CC(C(F)(F)F)=C1Cl
Description
2-Chloro-3-(trifluoromethyl)benzaldehyde features a trifluoromethyl group that imparts strong electron-withdrawing character, enhancing reactivity in nucleophilic additions. The ortho-chloro substituent provides steric and electronic modulation, while the aldehyde functionality enables direct incorporation into heterocycles and conjugated systems under standard conditions. This compound serves as a key intermediate in pharmaceutical synthesis and materials chemistry.
Application
2-Chloro-3-(trifluoromethyl)benzaldehyde serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient construction of biologically active heterocycles. Its electron-withdrawing trifluoromethyl and ortho-chloro substituents enhance reactivity in nucleophilic additions and condensation reactions. The aldehyde group facilitates straightforward derivatization via imine formation, reductive amination, or Ullmann-type coupling, while the molecule exhibits good bench stability and compatibility with standard purification techniques.
Synthesis
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Route1
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68-12-2 - ~63%
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In-stock
93118-03-7
References
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ACTELION PHARMACEUTICALS LTD. Patent: WO2006/21402 A1, 2006 ; Location in patent: Page/Page column 42 ; WO 2006/021402 A1
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Route2
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60-29-7
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88-16-4
- ~40%
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In-stock
93118-03-7
References
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ADIR Et Cie Patent: US4870091 A1, 1989 ;
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Route3
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88-16-4
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68-12-2
- ~%
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In-stock
93118-03-7
References
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Journal of Medicinal Chemistry, , vol. 29, # 9 p. 1696 - 1702
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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 : H315-H319-H335
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Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 17.07
- LogP 3.1713
- H_Acceptors 1
- H_Donors 0
- Rotatable_Bonds 1
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Key Words
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