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124311-10-0 molecular structure
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1,3-dibromo-1,4-dichloro-1,2,2,3,4,4-hexafluorobutane

ChemBase ID: 8689
Molecular Formular: C4Br2Cl2F6
Molecular Mass: 392.7472192
Monoisotopic Mass: 389.76479868
SMILES and InChIs

SMILES:
C(C(C(C(Cl)(F)F)(F)Br)(F)F)(Br)(F)Cl
Canonical SMILES:
FC(C(C(C(Cl)(F)F)(Br)F)(F)F)(Br)Cl
InChI:
InChI=1S/C4Br2Cl2F6/c5-1(9,4(8,13)14)2(10,11)3(6,7)12
InChIKey:
CNQPZAGOLNLMLO-UHFFFAOYSA-N

Cite this record

CBID:8689 http://www.chembase.cn/molecule-8689.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,3-dibromo-1,4-dichloro-1,2,2,3,4,4-hexafluorobutane
IUPAC Traditional name
1,3-dibromo-1,4-dichloro-1,2,2,3,4,4-hexafluorobutane
Synonyms
1,3-Dibromo-1,4,-dichlorohexafluorobutane 98%
1,3-Dibromo-1,4-dichlorohexafluorobutane
CAS Number
124311-10-0
MDL Number
MFCD01862038
PubChem SID
160971996
PubChem CID
2773961

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2773961 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.573345  LogD (pH = 7.4) 4.573345 
Log P 4.573345  Molar Refractivity 47.2532 cm3
Polarizability 18.415428 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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