苯甲基磺酰氟

Description

α-toluenesulphonyl fluoride · CAS 329-98-6 · C7H7FO2S. UNII 57KD15003I.

Identification

CAS Registry Number	329-98-6
PubChem CID	4784
Molecular formula	C7H7FO2S
IUPAC name	phenylmethanesulfonyl fluoride
UNII (FDA)	57KD15003I

Computed Descriptors

Molecular Weight	174.19
XLogP3	1.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	174.01507880
Monoisotopic Mass	174.01507880
Topological Polar Surface Area	42.5
Heavy Atom Count	11
Formal Charge	0

Physical description & handling notes

• Colorless solid; [Merck Index] White crystals; [Sigma-Aldrich MSDS]

GHS Hazard Classification

Reported hazard statements	H301 (99%), H314 (99%)

Documented Uses

• A serine and cysteine protease inhibitor; Used as a protease inhibitor in research and to prevent proteolytic degradation in protein purification; [Merck Index]
• Benzenemethanesulfonyl fluoride: ACTIVE
• Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
• Compounds which inhibit or antagonize biosynthesis or actions of proteases (ENDOPEPTIDASES).

Synonyms

Phenylmethylsulfonyl fluoride; PMSF; 329-98-6; phenylmethanesulfonyl fluoride; Benzylsulfonyl fluoride; Benzenemethanesulfonyl fluoride; alpha-TOLUENESULFONYL FLUORIDE; Phenylmethylsulfonylfluoride; Benzylsulphonyl fluoride; DTXSID6059819; NSC-88499; 57KD15003I; CHEBI:8102; Fluoride, Phenylmethylsulfonyl; Fluoride, Phenylmethanesulfonyl; Fluoride, Benzenemethanesulfonyl

Frequently Asked Questions

What are the CAS number and molecular formula of α-toluenesulphonyl fluoride?

CAS 329-98-6; molecular formula C7H7FO2S; molecular weight — g/mol.

What other names is α-toluenesulphonyl fluoride known by?

Phenylmethylsulfonyl fluoride, PMSF, 329-98-6, phenylmethanesulfonyl fluoride, Benzylsulfonyl fluoride, Benzenemethanesulfonyl fluoride.

Is α-toluenesulphonyl fluoride classified as hazardous?

Hazard statements reported: H301, H314.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.