alpha-Toluolsulfonylfluorid
Phenylmethylsulfonyl Fluoride
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Grundinformationen
- CAS
329-98-6- Standard-SMILES
O=S(=O)(F)Cc1ccccc1- InChIKey
YBYRMVIVWMBXKQ-UHFFFAOYSA-N- Summenformel
- C7H7FO2S
- Durchschnittliche Molmasse
- 174,19 g/mol
- Monoisotopische Masse
- 174,01507868
Überblick
Phenylmethanesulfonyl fluoride is an acyl fluoride with phenylmethanesulfonyl as the acyl group. It has a role as a serine proteinase inhibitor. It is functionally related to a phenylmethanesulfonic acid.
Namen und Bezeichner
- Bevorzugter Name
- Phenylmethylsulfonyl Fluoride
- IUPAC
- phenylmethanesulfonyl fluoride
- Lokaler Name
- alpha-Toluolsulfonylfluorid
- Englischer Name
- Phenylmethylsulfonyl fluoride
- Summenformel
- C7H7FO2S
- Molmasse
- 174.19
Namen und Synonyme
Phenylmethylsulfonyl fluoridePMSF329-98-6phenylmethanesulfonyl fluorideBenzylsulfonyl fluorideBenzenemethanesulfonyl fluoridealpha-TOLUENESULFONYL FLUORIDEPhenylmethylsulfonylfluorideBenzylsulphonyl fluorideDTXSID6059819NSC-8849957KD15003I
Weitere Namen anzeigen
TOSYL FLUORIDEP-TOLUENESULFONYL FLUORIDEα-toluenesulphonyl fluoride4-METHYLBENZENESULFONYL FLUORIDEabs9146PMSF PLUSPMSF, PMs-F
CHEBI:8102Fluoride, PhenylmethylsulfonylFluoride, PhenylmethanesulfonylFluoride, BenzenemethanesulfonylRefChem:861810DTXCID2038605206-350-2alpha-Toluenesulphonyl fluoride
Datenbank-Bezeichner
- CAS
329-98-6- PubChem CID
- 4784
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 1,3
- Polarare Oberfläche (TPSA)
- 42,5 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 199
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Uses -> Biochemical Research
Physical DescriptionColorless solid; [Merck Index] White crystals; [Sigma-Aldrich MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 92 · 92-95 °C
- Siedepunkt
- 112 °C16 · 112 °C16 mm Hg(lit.)
- Dichte
- 0.797 g/mL · 0.797 g/mL at 20 °C
- Flammpunkt
- 222 °F · 222 °F
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- 2 · dry solvents (ethanol, methanol, and 2-propanol): 200 mM Stock solution are stable for months at 4°C.
- Aggregatzustand
- Needles (May Agglomerate)
- pka
- 7 · 7.0
- Farbe
- White
- Biologische Quelle
- synthetic
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H301 (99%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P264, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 103 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationPhenylmethanesulphonyl fluoride: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Causes convulsions and multiple enzyme effects in acute intraperitoneal studies of mice; [RTECS] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Toxic by ingestion; Targets the nerves, heart, blood, and eyes; [Sigma-Aldrich MSDS] See Methanesulfonyl fluoride.
Hazard Classes and CategoriesAcute Tox. 3 (99%)
Sicherheit und Schutzausrüstung
Exposure Control and Personal Protection
Biological Exposure Indices (BEI) [ACGIH] - Fluorides in urine = 2 mg/L prior to shift or 3 mg/L at end of shift; (Repeated measurements recommended.)
1.0 [mg/m3], inhalable fraction, as F[German Research Foundation (DFG)]
Threshold Limit Values (TLV)2.5 [mg/m3], as F
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
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).
Verwendung und Herstellung
UsesA serine and cysteine protease inhibitor; Used as a protease inhibitor in research and to prevent proteolytic degradation in protein purification; [Merck Index]
General Manufacturing InformationBenzenemethanesulfonyl fluoride: ACTIVE
Anwendungen
VerwendenPhenylmethylsulfonyl fluoride is used as a Protease inhibitor such as Chymotrypsin, Trypsin and Thrombin as well as Acetylcholineesterase.
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