CAS 455-16-3|P-fluorosulfonyltoluene|4-Toluenesulfonyl fluoride|4-methylbenzene-1-sulfonyl fluoride|4-Methylbenzenesulphonyl fluoride|Tosyl fluoride|4-Toluenesulphonyl fluoride 98%|对甲苯磺酰氟|p-To...

Molecular Formula

C₇H₇FO₂S

Molecular Mass

174.1926832

Exact Mass

174.01507868

InChI

InChI=1S/C7H7FO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3

InChIKey

IZZYABADQVQHLC-UHFFFAOYSA-N

Canonic Smiles

Cc1ccc(cc1)S(=O)(=O)F

Isomeric Smiles

FS(=O)(=O)c1ccc(cc1)C

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.145381

LogD (pH = 7.4)

2.145381

Log P

2.145381

Molar Refractivity

40.6584

Polarizability

16.013466

Polar Surface Area

34.14

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

9965

IUPAC Traditional name

P-fluorosulfonyltoluene

IUPAC name

4-methylbenzene-1-sulfonyl fluoride

Synonyms

4-Toluenesulfonyl fluoride4-Methylbenzenesulphonyl fluorideTosyl fluoride4-Toluenesulphonyl fluoride 98%p-Toluenesulfonyl fluoride对甲苯磺酰氟

MDL Number

Beilstein Number

PubChem SID

MSDS Link

Storage Warning

MOISTURE SENSITIVE, CORROSIVE

Corrosive/Moisture Sensitive/Store under Argon

Moisture Sensitive

TSCA Listed

true

是

RTECS

XT8050000

GHS Hazard statements

H302-H312-H314-H332

H301-H314-H318

European Hazard Symbols

Corrosive (C)

Harmful (X)

GHS Precautionary statements

P280-P305+P351+P338-P310

P260-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501A

GHS Pictograms

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

Corrosive to metals, category 1

Skin corrosion, categories 1A,1B,1C

Serious eye damage, category 1

Acute toxicity (oral, dermal, inhalation), categories 1,2,3

Hazard Class

Safety Statements

22-26-27-36/37/39-45

26-36/37/39-45

UN Number

3261

UN3261

GHS Signal Word

Danger

German water hazard class

Packing Group

RID/ADR

UN 3261 8/PG 2

Risk Statements

20/21/22-34

22-34

Personal Protective Equipment

Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges

Physical Property

Product Information

Purity

98%

Linear Formula

CH3C6H4SO2F

No Data Available

Click here to submit data

No Data Available

Click here to submit data

Apollo Scientific

PC6991

JOC., 57, 697 (1992): one-step synthesis of sulphones

Sigma Aldrich

117455

Application
Protease inhibitor.
Packaging
10, 50 g in glass bottle

From Data Sources

• For sulfonylation of organometallic reagents as a simple, one-step synthesis of sulfones, see: J. Org. Chem., 57, 697 (1992):

Academic Data

PubChem

9965

IUPAC Traditional name

P-fluorosulfonyltoluene

IUPAC name

4-methylbenzene-1-sulfonyl fluoride

Synonyms

4-Toluenesulfonyl fluoride4-Methylbenzenesulphonyl fluorideTosyl fluoride4-Toluenesulphonyl fluoride 98%p-Toluenesulfonyl fluoride对甲苯磺酰氟

MDL Number

Beilstein Number

PubChem SID

PC6991

JOC., 57, 697 (1992): one-step synthesis of sulphones

Sigma Aldrich

117455

Application
Protease inhibitor.
Packaging
10, 50 g in glass bottle

From Data Sources

• For sulfonylation of organometallic reagents as a simple, one-step synthesis of sulfones, see: J. Org. Chem., 57, 697 (1992):

Safety Information

Physical Property

Product Information

Purity

98%

Linear Formula

CH3C6H4SO2F

Molecule

ID:9748