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375-34-8 molecular structure
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2,2,3,3-tetrachloro-1,1,1,4,4,4-hexafluorobutane

ChemBase ID: 8822
Molecular Formular: C4Cl4F6
Molecular Mass: 303.8452192
Monoisotopic Mass: 301.86583004
SMILES and InChIs

SMILES:
C(C(C(C(F)(F)F)(Cl)Cl)(Cl)Cl)(F)(F)F
Canonical SMILES:
ClC(C(C(F)(F)F)(Cl)Cl)(C(F)(F)F)Cl
InChI:
InChI=1S/C4Cl4F6/c5-1(6,3(9,10)11)2(7,8)4(12,13)14
InChIKey:
BZBLUUDREZEDDJ-UHFFFAOYSA-N

Cite this record

CBID:8822 http://www.chembase.cn/molecule-8822.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,2,3,3-tetrachloro-1,1,1,4,4,4-hexafluorobutane
IUPAC Traditional 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
CAS Number
375-34-8
MDL Number
MFCD00042088
PubChem SID
160972129
PubChem CID
67811

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 67811 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.2167115  LogD (pH = 7.4) 5.2167115 
Log P 5.2167115  Molar Refractivity 41.8792 cm3
Polarizability 15.814854 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
83-84°C expand Show data source
Boiling Point
131-133°C expand Show data source
Flash Point
none°C expand Show data source
Density
1.76 expand Show data source
1.760 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
TSCA Listed
false expand Show data source
Purity
99% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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