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1766-41-2 molecular structure
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pentacontafluorotetracosane

ChemBase ID: 150567
Molecular Formular: C24F50
Molecular Mass: 1238.17696
Monoisotopic Mass: 1237.920161
SMILES and InChIs

SMILES:
C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Canonical SMILES:
FC(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
InChI:
InChI=1S/C24F50/c25-1(26,3(29,30)5(33,34)7(37,38)9(41,42)11(45,46)13(49,50)15(53,54)17(57,58)19(61,62)21(65,66)23(69,70)71)2(27,28)4(31,32)6(35,36)8(39,40)10(43,44)12(47,48)14(51,52)16(55,56)18(59,60)20(63,64)22(67,68)24(72,73)74
InChIKey:
AXFFGMPNSZVEDX-UHFFFAOYSA-N

Cite this record

CBID:150567 http://www.chembase.cn/molecule-150567.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
pentacontafluorotetracosane
IUPAC Traditional name
perfluorotetracosane
Synonyms
Perfluorotetracosane
全氟二十四烷
CAS Number
1766-41-2
MDL Number
MFCD00009915
Beilstein Number
5474566
PubChem SID
162244728
24856296
24887181
PubChem CID
2776369

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2776369 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Log P 17.495857  Molar Refractivity 115.5652 cm3
Polarizability 46.982887 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds 23  Lipinski's Rule of Five false 
H Acceptors H Donor
LogD (pH = 5.5) 17.495857  LogD (pH = 7.4) 17.495857 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
188-190 °C expand Show data source
188-190 °C(lit.) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Grade
analytical standard, for mass spectrometry expand Show data source
Linear Formula
CF3(CF2)22CF3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 268836 external link
Application
Mass spectrum standard.
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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