Cas no 944905-42-4 (5-Methoxy-2-(trifluoromethyl)benzaldehyde)

5-Methoxy-2-(trifluoromethyl)benzaldehyde structure
944905-42-4 structure
Product Name:5-Methoxy-2-(trifluoromethyl)benzaldehyde
CAS No:944905-42-4
MF:C9H7F3O2
MW:204.145893335342
MDL:MFCD10696315
CID:1122575
Update Time:2023-09-21

5-Methoxy-2-(trifluoromethyl)benzaldehyde Chemical and Physical Properties

Names and Identifiers

    • 5-Methoxy-2-(trifluoromethyl)benzaldehyde
    • 5-Methoxy-2-(trifluoromethyl)benzaldehyde (ACI)
    • MDL: MFCD10696315
    • Inchi: 1S/C9H7F3O2/c1-14-7-2-3-8(9(10,11)12)6(4-7)5-13/h2-5H,1H3
    • InChI Key: QFKMLBPPJRRDBX-UHFFFAOYSA-N
    • SMILES: O=CC1C(C(F)(F)F)=CC=C(OC)C=1

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3

Experimental Properties

  • Density: 1.287±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 254.3±40.0 oC (760 Torr),
  • Flash Point: 104.5±22.2 oC,
  • Solubility: Very slightly soluble (0.29 g/l) (25 o C),

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5-Methoxy-2-(trifluoromethyl)benzaldehyde Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran ;  2 h, -78 °C
1.2 -78 °C → rt; overnight, rt
1.3 Reagents: Hydrochloric acid Solvents: Ethyl acetate ,  Water
Reference
Preparation method of oxadiazole compound
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5-Methoxy-2-(trifluoromethyl)benzaldehyde Raw materials

5-Methoxy-2-(trifluoromethyl)benzaldehyde Preparation Products

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