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307-37-9 molecular structure
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2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecan-1-ol

ChemBase ID: 8100
Molecular Formular: C10H3F19O
Molecular Mass: 500.0998808
Monoisotopic Mass: 499.9880509
SMILES and InChIs

SMILES:
FC(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
Canonical SMILES:
OCC(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
InChI:
InChI=1S/C10H3F19O/c11-2(12,1-30)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)29/h30H,1H2
InChIKey:
NIRPXSQCRWXHNZ-UHFFFAOYSA-N

Cite this record

CBID:8100 http://www.chembase.cn/molecule-8100.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecan-1-ol
IUPAC Traditional name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecan-1-ol
Synonyms
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Nonadecafluoro-1-decanol
1H,1H-Perfluoro-1-decanol
1H,1H-Perfluorodecan-1-ol 98%
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Nonadecafluoro-1-decanol
1H,1H-Perfluoro-1-decanol
1H,1H-全氟-1-十醇
1H,1H-全氟-1-正癸醇
CAS Number
307-37-9
EC Number
000-000-0
MDL Number
MFCD00153234
Beilstein Number
1810012
PubChem SID
160971407
24868299
PubChem CID
2733275

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.621079  H Acceptors
H Donor LogD (pH = 5.5) 6.041661 
LogD (pH = 7.4) 6.0416584  Log P 6.041661 
Molar Refractivity 51.0554 cm3 Polarizability 20.33138 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
82-84°C expand Show data source
83-90°C expand Show data source
87-90 °C(lit.) expand Show data source
Boiling Point
192 °C/735 mmHg(lit.) expand Show data source
95°C/20mm expand Show data source
95°C/20mm expand Show data source
Flash Point
none°C expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant 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
expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
98% expand Show data source
Linear Formula
CF3(CF2)8CH2OH expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 446831 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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