Description

4-(Pentafluoro-lambda6-sulfanyl)benzaldehyde (CAS No. 401892-84-0) is a high-purity fluorinated aromatic aldehyde with the molecular formula C₇H₅F₅OS. This compound features a pentafluorosulfanyl (-SF₅) group, a highly electronegative and lipophilic substituent, which enhances its reactivity and stability in synthetic applications. Ideal for advanced organic synthesis, this benzaldehyde derivative is widely used in pharmaceuticals, agrochemicals, and materials science due to its unique electronic properties. Supplied as a crystalline solid with ≥95% purity (GC), it is rigorously tested for consistency and quality, ensuring reliable performance in demanding research environments. Store under inert conditions to maintain stability.

Properties

• CAS Number: 401892-84-0
• Complexity: 236
• IUPAC Name: 4-(pentafluoro-lambda6-sulfanyl)benzaldehyde
• InChI: InChI=1S/C7H5F5OS/c8-14(9,10,11,12)7-3-1-6(5-13)2-4-7/h1-5H
• InChI Key: OTOYBKNIUCEPMV-UHFFFAOYSA-N
• Exact Mass: 231.99812676
• Molecular Formula: C7H5F5OS
• Molecular Weight: 232.17
• SMILES: C1=CC(=CC=C1C=O)S(F)(F)(F)(F)F
• Topological: 18.1
• Monoisotopic Mass: 231.99812676
• Synonyms: 4-(pentafluoro-lambda6-sulfanyl)benzaldehyde, 692-885-0, 401892-84-0, 4-(Pentafluorosulfanyl)benzaldehyde, 4-(Pentafluorothio)benzaldehyde, MFCD03788518, 4-Sulfurpentafluorobenzaldehyde, 4-Formylphenylsulphur pentafluoride, SCHEMBL2220244, SCHEMBL26982430, 4-pentafluorosulfanyl-benzaldehyde, DTXSID40381320, OTOYBKNIUCEPMV-UHFFFAOYSA-N, BRA89284, SBB052171, 4-(pentafluoro–sulfanyl)benzaldehyde, AKOS005259693, SB85354, PS-11420, SY064732, 4-(pentafluoro-lambda-sulfanyl)benzaldehyde, DB-228901, CS-0205934, 4-(pentafluoro-lambda~6~-sulfanyl)benzaldehyde, 4-(pentafluoro-lambda6-sulphanyl)-benzaldehyde, G22153, EN300-1602965, Z1269232837

Application

4-(Pentafluoro-lambda6-sulfanyl)benzaldehyde is a versatile building block in medicinal chemistry, particularly for synthesizing SF₅-containing drug candidates with improved metabolic stability. It is also employed in materials science to create fluorinated polymers and liquid crystals with enhanced thermal and chemical resistance. Researchers utilize this compound in cross-coupling reactions to introduce the pentafluorosulfanyl group into complex molecules.

Safety and Hazards

GHS Hazard Statements

• H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
• H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal]
• H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation]
• H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 3 (100%)
• Acute Tox. 3 (100%)
• Skin Irrit. 2 (66.7%)
• Eye Irrit. 2A (66.7%)
• Acute Tox. 3 (100%)
• STOT SE 3 (66.7%)

If you are interested or have any questions, please contact us at support@atomfair.com

Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.