alpha-Toluolsulfonylfluorid

Phenylmethylsulfonyl Fluoride

HCID 4784CAS 329-98-6
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Grundinformationen

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
DTXSID
DTXSID6059819
ChEMBL
CHEMBL190503
ChEBI
CHEBI:8102
UNII
57KD15003I
EC Number
206-350-2
Nikkaji
J150.773G

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,3
Polarare Oberfläche (TPSA)
42,5 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
2
Schwere Atome
11

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.

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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 · 1 Eintrag

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 · 2 Einträge

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
Permissible Exposure Limit (PEL)2.5 [mg/m3], as F

Toxikologische Informationen

Adverse EffectsDermatotoxin - Skin burns.

Sicherheitsdaten

F
3-10-21
wgk
3
tsca
TSCA listed
ridadr
UN 3261 8/PG 2
hs_code
29241990
RTECS-Nr.
XT8050000

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological Classification · 2 Einträge

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.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: Phenylmethanesulfonyl fluoride is an acyl fluoride with phenylmethanesulfonyl as the acyl group. It has a role as a serine proteinase inhibitor. It derives from a phenylmethanesulfonic acid.

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