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55502-53-9 molecular structure
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2-pentafluorophenoxyacetyl chloride

ChemBase ID: 59387
Molecular Formular: C8H2ClF5O2
Molecular Mass: 260.545296
Monoisotopic Mass: 259.96634808
SMILES and InChIs

SMILES:
c1(c(c(c(c(c1F)OCC(=O)Cl)F)F)F)F
Canonical SMILES:
ClC(=O)COc1c(F)c(F)c(c(c1F)F)F
InChI:
InChI=1S/C8H2ClF5O2/c9-2(15)1-16-8-6(13)4(11)3(10)5(12)7(8)14/h1H2
InChIKey:
WQLJMPAQIWVNGS-UHFFFAOYSA-N

Cite this record

CBID:59387 http://www.chembase.cn/molecule-59387.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-pentafluorophenoxyacetyl chloride
IUPAC Traditional name
2-pentafluorophenoxyacetyl chloride
Synonyms
2,3,4,5,6-Pentafluorophenoxyacetyl chloride
(Pentafluorophenoxy)acetyl chloride
2,3,4,5,6-五氟苯氧基乙酰基氯
CAS Number
55502-53-9
EC Number
259-676-2
MDL Number
MFCD01320685
PubChem SID
162064150
PubChem CID
97020

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 97020 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Lipinski's Rule of Five true  H Acceptors
H Donor LogD (pH = 5.5) 2.5403972 
LogD (pH = 7.4) 2.5403972  Log P 2.5403972 
Molar Refractivity 43.5463 cm3 Polarizability 16.121668 Å3
Polar Surface Area 26.3 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
116-117°C/20mm expand Show data source
116-117°C/20mm expand Show data source
Storage Warning
Corrosive expand Show data source
IRRITANT expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
UN3265 expand Show data source
MSDS Link
Download expand Show data source
Hazard Class
8 expand Show data source
Packing Group
III expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
20-23-26-36/37/39-45-60 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Hazard statements
H314-H318 expand Show data source
GHS Precautionary statements
P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A expand Show data source
Purity
99% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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