Home > Compound List > Compound details
377-40-2 molecular structure
click picture or here to close

1,2-dibromo-1,2,3,3,4,4-hexafluorocyclobutane

ChemBase ID: 8727
Molecular Formular: C4Br2F6
Molecular Mass: 321.8412192
Monoisotopic Mass: 319.82709332
SMILES and InChIs

SMILES:
C1(C(C(C1(Br)F)(Br)F)(F)F)(F)F
Canonical SMILES:
FC1(F)C(F)(F)C(C1(F)Br)(F)Br
InChI:
InChI=1S/C4Br2F6/c5-1(7)2(6,8)4(11,12)3(1,9)10
InChIKey:
HLCPJMKKTKDOGB-UHFFFAOYSA-N

Cite this record

CBID:8727 http://www.chembase.cn/molecule-8727.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,2-dibromo-1,2,3,3,4,4-hexafluorocyclobutane
IUPAC Traditional name
1,2-dibromo-1,2,3,3,4,4-hexafluorocyclobutane
Synonyms
1,2-Dibromohexafluorocyclobutane 97%
1,2-Dibromohexafluorocyclobutane
CAS Number
377-40-2
MDL Number
MFCD00236658
PubChem SID
160972034
PubChem CID
2736775

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2736775 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.664392  LogD (pH = 7.4) 3.664392 
Log P 3.664392  Molar Refractivity 34.1422 cm3
Polarizability 13.872511 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
93-95°C expand Show data source
Density
1.384 expand Show data source
Refractive Index
1.3855 expand Show data source
Storage Warning
Irritant expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle