Cas no 742097-70-7 (Benzenemethanol, a-ethyl-3,5-bis(trifluoromethyl)-)

Technical Introduction: Benzenemethanol, α-ethyl-3,5-bis(trifluoromethyl)- This compound, α-ethyl-3,5-bis(trifluoromethyl)benzenemethanol, is a fluorinated aromatic alcohol characterized by its unique structural features. The presence of two trifluoromethyl groups at the 3 and 5 positions enhances its electron-withdrawing properties, making it valuable in synthetic chemistry as an intermediate for pharmaceuticals, agrochemicals, and specialty materials. The α-ethyl substitution further modifies its steric and electronic profile, influencing reactivity and selectivity in transformations such as nucleophilic additions or coupling reactions. Its fluorinated aromatic core also contributes to improved metabolic stability and lipophilicity, which are advantageous in drug design. The compound is typically handled under inert conditions due to its sensitivity to oxidation.

Benzenemethanol, a-ethyl-3,5-bis(trifluoromethyl)- structure

742097-70-7 structure

Product Name:Benzenemethanol, a-ethyl-3,5-bis(trifluoromethyl)-

CAS No:742097-70-7

MF:C₁₁H₁₀F₆O

MW:272.18692445755

CID:560392

PubChem ID:10236309

Update Time:2025-06-06

Benzenemethanol, a-ethyl-3,5-bis(trifluoromethyl)- Chemical and Physical Properties

Names and Identifiers

- Benzenemethanol, a-ethyl-3,5-bis(trifluoromethyl)-
- 1-[3,5-Bis(trifluoromethyl)phenyl]propanol
- 1-[3,5-Bis(trifluoromethyl)phenyl]propan-1-ol
- 1-[3,5-bis(trifluoromethyl)phenyl]-1-propanol
- 1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]PROPANOL-1
- 1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]PROPANOL-1 MIN.
- AKOS005257706
- 1-(3,5-Bis(trifluoromethyl)phenyl)propan-1-ol
- (-)-
- 742097-70-7
- 1-[3,5-bis-(Trifluoromethyl)phenyl]propan-1-ol
- Benzenemethanol,a-ethyl-3,5-bis(trifluoromethyl)-,(-)-
- N11941
- SCHEMBL2394599
- 184888-50-4
- MFCD08062371
- inverted exclamation mark-Ethyl-3,5-bis(trifluoromethyl)benzenemethanol
- 3,5-Bis(trifluoromethyl)-alpha-ethylbenzyl alcohol
- Inchi： 1S/C11H10F6O/c1-2-9(18)6-3-7(10(12,13)14)5-8(4-6)11(15,16)17/h3-5,9,18H,2H2,1H3
- InChI Key： MBQJJEHEDHLDBO-UHFFFAOYSA-N
- SMILES： FC(C1C=C(C(F)(F)F)C=C(C=1)C(CC)O)(F)F

Computed Properties

Exact Mass: 272.06400
Monoisotopic Mass: 272.06358391g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 7
Heavy Atom Count: 18
Rotatable Bond Count: 2
Complexity: 250
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 1
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 3.7
Topological Polar Surface Area: 20.2?2

Experimental Properties

PSA: 20.23000
LogP: 4.16760

Benzenemethanol, a-ethyl-3,5-bis(trifluoromethyl)- Pricemore >>

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