C4Br4F8
1,2,3,4-tetrabromo-1,1,2,3,4,4-hexafluorobutane
This compound is a polyhalogenated organic molecule consisting of a carbon backbone substituted with bromine and fluorine atoms. It is primarily utilized as a specialized chemical intermediate in the synthesis of fluorinated materials and as a reagent in organic chemistry research.
Key Properties
Cross-validated computational properties for C4Br4F8, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for C4Br4F8, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 4.53 | 0.0715 | -5.033 | 2.63 |
| — | — | — | — | — | 2.53 |
| No. 0 | unknown | — | — | — | 0.80 |
| — | — | — | — | — | 2.53 |
Applications
Where C4Br4F8 is used.
Frequently Asked Questions
Common questions about C4Br4F8, answered from cross-validated data.
What is C4Br4F8?
This compound is a polyhalogenated organic molecule consisting of a carbon backbone substituted with bromine and fluorine atoms. It is primarily utilized as a specialized chemical intermediate in the synthesis of fluorinated materials and as a reagent in organic chemistry research.
What is C4Br4F8 used for?
What is the band gap of C4Br4F8?
Is C4Br4F8 a metal, semiconductor, or insulator?
Is C4Br4F8 thermodynamically stable?
What is the crystal structure of C4Br4F8?
What is the density of C4Br4F8?
How many polymorphs of C4Br4F8 are known?
What elements does C4Br4F8 contain?
Where does the data for C4Br4F8 come from?
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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