PMSF

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Names

[ CAS No. ]:
329-98-6

[ Name ]:
PMSF

[Synonym ]:
α-Toluenesulfonyl fluoride
Benzenemethanesulfonyl fluoride
Phenylmethanesulfonyl fluoride (PMSF)
Phenylmethylsulfonyl fluoride
Phenylmethanesulfonyl fluoride
Phenylmethanesulphonyl fluoride
Fluoride, Phenylmethanesulfonyl
phenyl methane sulfonyl fluoride
phenylmethyl-sulfonyl fluoride
PMSF
EINECS 206-350-2
Benzylsulfonyl Fluoride
Benzylsulphonyl fluoride
MFCD00007421

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
285.7±19.0 °C at 760 mmHg

[ Melting Point ]:
92-95 °C

[ Molecular Formula ]:
C7H7FO2S

[ Molecular Weight ]:
174.193

[ Flash Point ]:
126.6±21.5 °C

[ Exact Mass ]:
174.015076

[ PSA ]:
42.52000

[ LogP ]:
2.33

[ Vapour Pressure ]:
0.0±0.6 mmHg at 25°C

[ Index of Refraction ]:
1.522

[ Storage condition ]:
2-8°C

[ Water Solubility ]:
hydrolysis

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XT8040000
CHEMICAL NAME :
alpha-Toluenesulfonyl fluoride
CAS REGISTRY NUMBER :
329-98-6
BEILSTEIN REFERENCE NO. :
2088311
LAST UPDATED :
199701
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C7-H7-F-O2-S
MOLECULAR WEIGHT :
174.20
WISWESSER LINE NOTATION :
WSF1R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
150 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NATUAS Nature. (Nature Subscription Dept., POB 1018, Manasguan, NJ 08736) V.1- 1869- Volume(issue)/page/year: 173,33,1954
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FATOAO Farmakologiya i Toksikologiya (Moscow). For English translation, see PHTXA6 and RPTOAN. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.2- 1939- Volume(issue)/page/year: 39,265,1976
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
215 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold
REFERENCE :
LIFSAK Life Sciences. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1-8, 1962-69; V.14- 1974- Volume(issue)/page/year: 31,1193,1982 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X4865 No. of Facilities: 104 (estimated) No. of Industries: 1 No. of Occupations: 3 No. of Employees: 2391 (estimated) No. of Female Employees: 1942 (estimated)

Safety Information

[ Symbol ]:

GHS05, GHS06

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H301-H314

[ Precautionary Statements ]:
P280-P305 + P351 + P338-P310

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P2 (EN 143) respirator cartridges;type P3 (EN 143) respirator cartridges

[ Hazard Codes ]:
T:Toxic;

[ Risk Phrases ]:
R25;R34

[ Safety Phrases ]:
S7-S16-S45-S36/37/39-S28A-S26

[ RIDADR ]:
UN 3261 8/PG 2

[ WGK Germany ]:
3

[ RTECS ]:
XT8050000

[ Packaging Group ]:
III

[ Hazard Class ]:
8

[ HS Code ]:
2904909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Dibenzyl disulfide
  • Benzenemethanesulfonothioicacid, S-(phenylmethyl) ester

DownStream

  • 1-morpholin-4-yl-8-phenyl-7$l^{6}-thiabicyclo[4.2.0]octane 7,7-dioxide
  • trans-Cinnamonitrile
  • (E)-Chalcone
  • trans-4-phenylbut-3-en-2-one
  • Sulfone, benzyl1,2-diphenylvinyl (6CI,8CI)
  • trans-Stilbene
  • Benzenemethanesulfonicacid, phenyl ester
  • toluene-alpha-sulphonic acid
  • Cyclohexylidenemethyl-benzene
  • ethyl cinnamate

Customs

[ HS Code ]: 2904909090

[ Summary ]:
HS:2904909090 sulphonated, nitrated or nitrosated derivatives of hydrocarbons, whether or not halogenated VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

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