Cas no 731779-91-2 (4'-(trifluoromethyl)-1,1'-biphenyl-3-sulfonyl chloride)

4'-(Trifluoromethyl)-1,1'-biphenyl-3-sulfonyl chloride is a versatile sulfonyl chloride derivative widely used in organic synthesis, particularly in the preparation of sulfonamides and sulfonate esters. The trifluoromethyl group enhances the compound's electron-withdrawing properties, making it valuable in pharmaceutical and agrochemical applications where metabolic stability and lipophilicity are critical. Its biphenyl backbone provides structural rigidity, facilitating selective reactivity in coupling and substitution reactions. The sulfonyl chloride moiety offers high reactivity toward nucleophiles, enabling efficient derivatization. This compound is particularly useful in medicinal chemistry for designing bioactive molecules with improved pharmacokinetic profiles. Proper handling under anhydrous conditions is recommended due to its moisture sensitivity.

4'-(trifluoromethyl)-1,1'-biphenyl-3-sulfonyl chloride structure

731779-91-2 structure

Product Name:4'-(trifluoromethyl)-1,1'-biphenyl-3-sulfonyl chloride

CAS No:731779-91-2

MF:C₁₃H₈ClF₃O₂S

MW:320.714632034302

MDL:MFCD01631887

CID:3057041

PubChem ID:3789336

Update Time:2025-05-28

4'-(trifluoromethyl)-1,1'-biphenyl-3-sulfonyl chloride Chemical and Physical Properties

Names and Identifiers

- (3-[4-(Trifluoromethyl)Phenyl]Phenyl)Sulfonylchloride
- 4'-(trifluoromethyl)-1,1'-biphenyl-3-sulfonyl chloride
- AKOS004116062
- SCHEMBL9996829
- 4'-(trifluoromethyl)-[1,1'-biphenyl]-3-sulfonyl chloride
- 3-[4-(trifluoromethyl)phenyl]benzene-1-sulfonyl chloride
- MFCD01631887
- [1,1'-Biphenyl]-3-sulfonyl chloride, 4'-(trifluoromethyl)-
- {3-[4-(TRIFLUOROMETHYL)PHENYL]PHENYL}SULFONYL CHLORIDE
- 731779-91-2
- 4a(2)-(Trifluoromethyl)[1,1a(2)-biphenyl]-3-sulfonyl chloride
- 3-[4-(trifluoromethyl)phenyl]benzenesulfonyl Chloride
- EN300-239716
- DTXSID401206867
- F9995-2565
- G84609
- 4'-(trifluoromethyl)-[1,1'-biphenyl]-3-sulfonylchloride
- MDL： MFCD01631887
- Inchi： 1S/C13H8ClF3O2S/c14-20(18,19)12-3-1-2-10(8-12)9-4-6-11(7-5-9)13(15,16)17/h1-8H
- InChI Key： IWCFSHVDCMFYJU-UHFFFAOYSA-N
- SMILES： ClS(C1=CC=CC(=C1)C1C=CC(C(F)(F)F)=CC=1)(=O)=O

Computed Properties

Exact Mass: 319.9885628g/mol
Monoisotopic Mass: 319.9885628g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 2
Heavy Atom Count: 20
Rotatable Bond Count: 3
Complexity: 422
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 4.5
Topological Polar Surface Area: 42.5?2

4'-(trifluoromethyl)-1,1'-biphenyl-3-sulfonyl chloride Pricemore >>

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TRC	T258276-100mg	4'-(Trifluoromethyl)-[1,1'-biphenyl]-3-sulfonyl Chloride	731779-91-2		100mg	$ 95.00	2022-06-03
TRC	T258276-500mg	4'-(Trifluoromethyl)-[1,1'-biphenyl]-3-sulfonyl Chloride	731779-91-2		500mg	$ 340.00	2022-06-03
TRC	T258276-1g	4'-(Trifluoromethyl)-[1,1'-biphenyl]-3-sulfonyl Chloride	731779-91-2		1g	$ 550.00	2022-06-03
abcr	AB510006-100 mg	(3-[4-(Trifluoromethyl)phenyl]phenyl)sulfonylchloride; .	731779-91-2		100MG	€363.80	2023-04-18
abcr	AB510006-250 mg	(3-[4-(Trifluoromethyl)phenyl]phenyl)sulfonylchloride; .	731779-91-2		250MG	€649.30	2023-04-18
abcr	AB510006-1 g	(3-[4-(Trifluoromethyl)phenyl]phenyl)sulfonylchloride; .	731779-91-2		1g	€1,531.20	2023-04-18
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