3,5-Bis(trifluoromethyl)thiophenol

• CAS: 130783-02-7
• Catalog Number: ACM130783027
• Category: Other Products
• Molecular Weight: 246.17
• Molecular Formula: C₈H₄F₆S
• Synonyms: ZINC02584298, CID7023088, 130783-02-7
• IUPAC Name: 3,5-bis(trifluoromethyl)benzenethiolate
• Canonical SMILES: C1=C(C=C(C=C1C(F)(F)F)S)C(F)(F)F
• InChI Key: KCAQWPZIMLLEAF-UHFFFAOYSA-M
• Boiling Point: 167ºC
• Flash Point: 150 °F
• Density: 1.46
• Appearance: Colorless to light yellow liquid
• Exact Mass: 245.99400
• Hazard Statements: Xi:Irritant
• H-Bond Acceptor: 7
• H-Bond Donor: 0
• Safety Description: S26-S36
• WGK Germany: 3

Synthetic Use

Upstream Synthesis Route 1

• 39234-86-1

• 130783-02-7

Reference: [1] Synthetic Communications, 2012, vol. 42, # 16, p. 2432 - 2439

Downstream Synthesis Route 1

• 130783-02-7

• 349-58-6

Reference: [1] Journal of Organic Chemistry, 2005, vol. 70, # 16, p. 6404 - 6416

* For details of the synthesis route, please refer to the original source to ensure accuracy.