Phenylmethylsulfonyl fluoride (C7H7FO2S)

Phenylmethylsulfonyl fluoride presents a C7 framework, aromatic rings, halogen substitution (formula C7H7FO2S, CAS 329-98-6). ChemicalTool Reaction can propose ranked disconnections for Phenylmethylsulfonyl fluoride from the SMILES O=S(=O)(F)Cc1ccccc1.

Target: Phenylmethylsulfonyl fluoride
CAS: 329-98-6
Formula: C7H7FO2S
Approx. MW: 174.19
SMILES: O=S(=O)(F)Cc1ccccc1
PubChem CID: 4784
Approx. carbons: C7

Phenylmethylsulfonyl fluoride structure

Properties

IUPAC name: phenylmethanesulfonyl fluoride
Common names: Phenylmethylsulfonyl fluoride; PMSF; 329-98-6; phenylmethanesulfonyl fluoride; Benzylsulfonyl fluoride; Benzenemethanesulfonyl fluoride; alpha-TOLUENESULFONYL FLUORIDE; Phenylmethylsulfonylfluoride; Benzylsulphonyl fluoride; DTXSID6059819
Molecular weight: 174.19
Exact mass: 174.02
InChIKey: YBYRMVIVWMBXKQ-UHFFFAOYSA-N

View on PubChem

Phenylmethylsulfonyl fluoride 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Phenylmethylsulfonyl fluoride?

Phenylmethylsulfonyl fluoride has molecular formula C7H7FO2S. Molecular weight about 174.19 g·mol⁻¹.

What is the CAS number of Phenylmethylsulfonyl fluoride?

The CAS Registry Number for Phenylmethylsulfonyl fluoride is 329-98-6.

Run AI retrosynthesis for Phenylmethylsulfonyl fluoride Target catalog AI tools overview

Open the planner with Phenylmethylsulfonyl fluoride preloaded, then keep routes that match CAS 329-98-6.

Related targets

Similar compounds

p-TOLUENESULFONYL FLUORIDE (Trifluoromethoxy)benzene 1-(Dichloromethyl)-4-fluorobenzene 1-Chloro-4-(trifluoromethoxy)benzene 1-Iodo-4-(trifluoromethoxy)benzene 3-Chlorobenzyl chloride

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References & tools

ChemicalTool Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.