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Pentafluoroethylsulfonyl chloride

HCID 324968
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Basic information

CAS
64773-40-6
Standard SMILES
O=S(=O)(Cl)C(F)(F)C(F)(F)F
InChIKey
VQHMMOSXFHZLPI-UHFFFAOYSA-N
Molecular formula
C2ClF5O2S
Average molar mass
218.53 g/mol
Monoisotopic mass
217.9227689

Names & identifiers

Preferred name
Pentafluoroethylsulfonyl chloride
IUPAC
1,1,2,2,2-pentafluoroethanesulfonyl chloride
English name
1,1,2,2,2-pentafluoroethanesulfonyl chloride
Molecular formula
C2ClF5O2S
Molecular weight
218.53

Names & synonyms

Pentafluoroethylsulfonyl chlorideRefChem:859810695-778-764773-40-6pentafluoroethane-1-sulfonyl chloride1,1,2,2,2-pentafluoroethanesulfonyl chloridePerfluoroethylsulphonyl chloridePENTAFLUOROETHANESULFONYL CHLORIDEMFCD034122591,1,2,2,2-Pentafluoroethanesulfonyl Chloride; NSC 292207; Pentafluoroethanesulfonyl Chloride; Pentafluoroethylsulfonyl Chloride;NSC292207C2ClF5O2S
Show more names
Pentafluoroethylsulphonyl chloridechlorure de pentafluoroethanesulfonyleEthanesulfonyl chloride, 1,1,2,2,2-pentafluoro-
SCHEMBL1146027DTXSID50315131VQHMMOSXFHZLPI-UHFFFAOYSA-NAKOS006221401FP88367NSC-292207MS-32450NS00019179

Database identifiers

CAS
64773-40-6
PubChem CID
324968
DTXSID
DTXSID50315131
EC Number
695-778-7
Nikkaji
J1.254.425A

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
42.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
1
Heavy atoms
11
Formal charge
0
Complexity
234

Experimental & physicochemical properties

PFAS · 2 items

PFAS -> Other/unspecified

PFAS -> Other/unspecified

Physicochemical properties

storage temp.
Hygroscopic, Refrigerator, under inert atmosphere
solubility
Chloroform (Sparingly)
form
Oil
color
Colourless
Stability
Hygroscopic, Volatile
EPA Substance Registry System
-1 · Pentafluoroethane-1-sulfonyl chloride (64773-40-6)
Symbol(GHS)
5 · GHS05
Signal word
Danger
Hazard statements
314 · H314
Precautionary statements
280 · P280-P271
HS Code
2930909899 · 2930909899

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1 (100%)

Safety data

hs_code
2930909899
Signal word
Danger
Symbol(GHS)
GHS05
Hazard statements
H314
Precautionary statements
P280-P271

Chemistry & industry

Applications

UsesPerfluoroethylsulphonyl Chloride is used in preparation of pesticidally active Pyrazole derivatives.

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Compound notes

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