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307-46-0 molecular structure
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2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecan-1-ol

ChemBase ID: 8300
Molecular Formular: C11H3F21O
Molecular Mass: 550.1073872
Monoisotopic Mass: 549.98485734
SMILES and InChIs

SMILES:
C(C(C(C(C(C(C(C(C(C(CO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)(F)F
Canonical SMILES:
OCC(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
InChI:
InChI=1S/C11H3F21O/c12-2(13,1-33)3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)32/h33H,1H2
InChIKey:
MPAMAEMOVKLPRB-UHFFFAOYSA-N

Cite this record

CBID:8300 http://www.chembase.cn/molecule-8300.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecan-1-ol
IUPAC Traditional name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecan-1-ol
Synonyms
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Henicosafluoroundecan-1-ol
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Henicosafluoro-1-hydroxyundecane
1H,1H-Perfluoroundecan-1-ol 95+%
UNDECANOL-5
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heneicosafluoro-1-undecanol
1H,1H-Perfluoroundecan-1-ol
1H,1H-全氟辛基-1-醇
CAS Number
307-46-0
MDL Number
MFCD00153269
PubChem SID
160971607
24868300
PubChem CID
2776412

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.621079  H Acceptors
H Donor LogD (pH = 5.5) 6.7423034 
LogD (pH = 7.4) 6.742301  Log P 6.7423034 
Molar Refractivity 55.7234 cm3 Polarizability 22.248459 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds 10 
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
102-105 °C(lit.) expand Show data source
102-105°C expand Show data source
Boiling Point
143 °C/80 mmHg(lit.) expand Show data source
143°C/80mm expand Show data source
Storage Warning
Irritant expand Show data source
MSDS Link
Download expand Show data source
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
Purity
95% expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
CF3(CF2)9CH2OH expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05223186 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 446858 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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