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Molecule
ID:8822
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₄Cl₄F₆
Molecular Mass
303.8452192
Exact Mass
301.86583004
Charge
0
InChI
InChI=1S/C4Cl4F6/c5-1(6,3(9,10)11)2(7,8)4(12,13)14
InChIKey
BZBLUUDREZEDDJ-UHFFFAOYSA-N
Canonic Smiles
ClC(C(C(F)(F)F)(Cl)Cl)(C(F)(F)F)Cl
Isomeric Smiles
C(C(C(C(F)(F)F)(Cl)Cl)(Cl)Cl)(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.2167115
LogD (pH = 7.4)
5.2167115
Log P
5.2167115
Molar Refractivity
41.8792
Polarizability
15.814854
Polar Surface Area
0.0
Rotatable Bonds
3
Lipinski's Rule of Five
false
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Molecular Spectra
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Molecule Details
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Bioactivity
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General Information
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RDKit
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IUPAC name
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Product Information
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Molecular Spectra
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From Data Sources
Bioactivity
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PubChem BioAssay
Data Source
Commercial Catalog
Apollo Scientific
PC4800
Matrix Scientific
004774
MP Biomedicals
05207578
Academic Data
PubChem
67811
Names and Identifiers
IUPAC Traditional name
2,2,3,3-tetrachloro-1,1,1,4,4,4-hexafluorobutane
IUPAC name
2,2,3,3-tetrachloro-1,1,1,4,4,4-hexafluorobutane
Synonyms
Hexafluoro-2,2,3,3-tetrachlorobutane
Hexafluoro-2,2,3,3-tetrachlorobutane 95%
1,1,1,4,4,4-HEXAFLUOROTETRACHLOROBUTANE
Registration numbers
PubChem SID
160972129
PubChem CID
67811
CAS Number
375-34-8
MDL Number
MFCD00042088
Properties
Physical Property
Boiling Point
131-133°C
Source
Melting Point
83-84°C
Source
Density
1.76
Source
1.760
Source
Flash Point
none°C
Source
Safety Information
TSCA Listed
false
Source
MSDS Link
Download link
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Storage Warning
IRRITANT
Source
Irritant
Source
Product Information
Purity
99%
Source
Certificate of Analysis
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References
PubChem Literature
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Bioactivity
PubChem BioAssay