PENTAFLUOROTHIOPHENOL

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Names

[ CAS No. ]:
771-62-0

[ Name ]:
PENTAFLUOROTHIOPHENOL

[Synonym ]:
MFCD00004828
EINECS 212-236-3
2,3,4,5,6-pentafluorobenzenethiol

Chemical & Physical Properties

[ Density]:
1.501 g/mL at 25 °C(lit.)

[ Boiling Point ]:
143 °C(lit.)

[ Melting Point ]:
−24 °C(lit.)

[ Molecular Formula ]:
C6HF5S

[ Molecular Weight ]:
200.12900

[ Flash Point ]:
125 °F

[ Exact Mass ]:
199.97200

[ PSA ]:
38.80000

[ LogP ]:
2.67080

[ Index of Refraction ]:
n20/D 1.4645(lit.)

[ Storage condition ]:
Flammables area

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DC1940000
CHEMICAL NAME :
Benzenethiol, pentafluoro-
CAS REGISTRY NUMBER :
771-62-0
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C6-H-F5-S
MOLECULAR WEIGHT :
200.13
WISWESSER LINE NOTATION :
SHR BF CF DF EF FF

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
56 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#03384

Safety Information

[ Symbol ]:

GHS02, GHS05, GHS06

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H226-H302 + H312-H314-H331

[ Precautionary Statements ]:
P261-P280-P305 + P351 + P338-P310

[ Hazard Codes ]:
C:Corrosive;

[ Risk Phrases ]:
R10;R34

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

[ RIDADR ]:
UN 2920 8/PG 2

[ WGK Germany ]:
3

[ RTECS ]:
DC1940000

[ Packaging Group ]:
III

[ Hazard Class ]:
3

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 3-indole acetamide
  • Perfluorobenzene
  • pentafluorophenylmagnesium bromide
  • Sulfur
  • lithium pentafluorobenzene
  • 1-Chloro-2,3,4,5,6-pentafluorobenzene
  • hydrogen sulfide
  • Pentafluorobenzenesulfenyl chloride
  • Thiophene(SIV)

DownStream

  • (E)-2-cyano-3-[3-ethoxy-4-hydroxy-5-[(2,3,4,5,6-pentafluorophenyl)sulfanylmethyl]phenyl]prop-2-enamide
  • 1-Bromo-2,3,4,5,6-pentafluorobenzene
  • Bis(pentafluorophenyl) perdisulfide
  • 1-Chloro-2,3,4,5,6-pentafluorobenzene
  • Pentafluorobenzenesulfenyl chloride
  • Pentafluorobenzene
  • Pentafluorobenzenesulfonyl chloride
  • Pentafluorophenyl sulfide
  • Pentafluorobenzenesulfonicacid
  • 1,2,3,4,5-pentafluoro-6-phenylsulfanylbenzene