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335-70-6 molecular structure
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1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-1,8-diiodooctane

ChemBase ID: 8908
Molecular Formular: C8F16I2
Molecular Mass: 653.8689912
Monoisotopic Mass: 653.78339752
SMILES and InChIs

SMILES:
C(C(C(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(I)(F)F)(F)F
Canonical SMILES:
FC(C(C(C(I)(F)F)(F)F)(F)F)(C(C(C(C(I)(F)F)(F)F)(F)F)(F)F)F
InChI:
InChI=1S/C8F16I2/c9-1(10,3(13,14)5(17,18)7(21,22)25)2(11,12)4(15,16)6(19,20)8(23,24)26
InChIKey:
SRDQTCUHAMDAMG-UHFFFAOYSA-N

Cite this record

CBID:8908 http://www.chembase.cn/molecule-8908.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-1,8-diiodooctane
IUPAC Traditional name
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-1,8-diiodooctane
Synonyms
1,8-Diiodoperfluorooctane
1,8-Diiodohexadecafluorooctane
Perfluoro-1,8-diiodooctane 98%
Hexadecafluoro-1,8-diiodooctane
1,8-二碘代全氟辛烷
CAS Number
335-70-6
MDL Number
MFCD00236093
PubChem SID
160972215
24872008
PubChem CID
528190

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 528190 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 7.3464  LogD (pH = 7.4) 7.3464 
Log P 7.3464  Molar Refractivity 66.8266 cm3
Polarizability 27.019377 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
65°C expand Show data source
73-77 °C(lit.) expand Show data source
75-76°C expand Show data source
Boiling Point
112°C/25mm expand Show data source
74-76°C/76mm expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant/Keep Cold 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
TSCA Listed
false expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
98% expand Show data source
Linear Formula
I(CF2)8I expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 484997 external link
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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