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Molecule
ID:8261
Structure
Similarity
Functional Group
Text
General Information
Structure
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Molecular Formula
C₅H₂F₁₀
Molecular Mass
252.053412
Exact Mass
251.99968226
Charge
0
InChI
InChI=1S/C5H2F10/c6-1(2(7)4(10,11)12)3(8,9)5(13,14)15/h1-2H
InChIKey
RIQRGMUSBYGDBL-UHFFFAOYSA-N
Canonic Smiles
FC(C(F)(F)F)C(C(C(F)(F)F)(F)F)F
Isomeric Smiles
C(C(C(C(C(F)(F)F)F)F)(F)F)(F)(F)F
Calculated Properties
JChem
Acid pKa
17.204199
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.3038738
LogD (pH = 7.4)
3.3038738
Log P
3.3038738
Molar Refractivity
26.078
Polarizability
10.149338
Polar Surface Area
0.0
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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General Information
Calculated Properties
•
RDKit
•
JChem
Data Source
•
Commercial Catalog
•
Academic Data
Names and Identifiers
•
IUPAC Traditional name
•
IUPAC name
•
Synonyms
Registration numbers
Properties
•
Physical Property
•
Safety Information
•
Product Information
Related Proteins
Molecular Spectra
Molecule Details
•
Apollo Scientific
•
Sigma Aldrich
References
•
PubChem Literature
•
From Data Sources
Bioactivity
•
PubChem BioAssay
Data Source
Commercial Catalog
Apollo Scientific
PC0375
Matrix Scientific
003774
Sigma Aldrich
94884
Alfa Aesar
B21633
Academic Data
PubChem
86240
Names and Identifiers
IUPAC Traditional name
1,1,1,2,2,3,4,5,5,5-decafluoropentane
IUPAC name
1,1,1,2,2,3,4,5,5,5-decafluoropentane
Synonyms
2H,3H-Decafluoropentane 98%
2H,3H-Perfluoropentane
2H,3H-Perfluoropentane
2H,3H-全氟戊烷
Vertrel XF
1,1,1,2,3,4,4,5,5,5-Decafluoropentane
1,1,1,2,3,4,4,5,5,5-十氟戊烷
1,1,1,2,3,4,4,5,5,5-Decafluoropentane
2H,3H-十氟戊烷
2H,3H-Perfluoropentane
Registration numbers
PubChem SID
24890074
160971568
Beilstein Number
6324333
CAS Number
138495-42-8
MDL Number
MFCD00798129
PubChem CID
86240
Properties
Physical Property
Melting Point
-80°C
Source
-80°C
Source
Boiling Point
53.6°C
Source
55°C
Source
55 °C(lit.)
Source
54°C
Source
Density
1.580
Source
1.60
Source
1.60 g/mL at 20 °C(lit.)
Source
1.6
Source
Refractive Index
1.3
Source
n20/D 1.3
Source
<1.3000
Source
Flash Point
>110°C
Source
>257 °F
Source
>125 °C
Source
None
Source
Safety Information
MSDS Link
Download link
Source
Download link
Source
TSCA Listed
true
Source
是
Source
Storage Warning
Irritant/Keep Cold
Source
Safety Statements
61
Source
GHS Precautionary statements
P273
Source
GHS Hazard statements
H412
Source
Risk Statements
52/53
Source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)
Source
RTECS
RZ9885000
Source
German water hazard class
1
Source
European Hazard Symbols
Irritant (Xi)
来源
Product Information
Grade
technical
Source
Linear Formula
CF3CFHCFHCF2CF3
Source
Purity
~60% (GC)
Source
tech. 90%
Source
Impurities
other fluoropentanes, residual
Source
Molecule Details
Apollo Scientific
PC0375
Non-0zone depleting replacement for FC-113
Sigma Aldrich
94884
Packaging
100, 500 mL in glass bottle
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay
Registration numbers
•
PubChem SID
•
Beilstein Number
•
CAS Number
•
MDL Number
•
PubChem CID
Irritant (Xi)