CBrN
Cyanogen bromide
Cyanogen bromide is a volatile inorganic compound that serves as a versatile reagent in chemical synthesis and biochemical research. It is frequently utilized for its ability to selectively cleave peptide bonds and to modify proteins for analytical purposes.
Key Properties
Cross-validated computational properties for CBrN, 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 CBrN, 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. |
|---|---|---|---|---|---|
| Pmmn (No. 59) | orthorhombic | 5.04 | 0.2830 | -6.209 | 2.17 |
| P4/nmm (No. 129) | tetragonal | 5.10 | 0.2964 | -6.196 | 2.07 |
| Pmma (No. 51) | Orthorhombic | — | — | — | 5.33 |
| Pm (No. 6) | Monoclinic | — | — | — | 4.34 |
| Pm (No. 6) | Monoclinic | — | — | — | 4.38 |
| P-6m2 (No. 187) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
| Pmmn (No. 59) | — | — | — | — | — |
Applications
Where CBrN is used.
Frequently Asked Questions
Common questions about CBrN, answered from cross-validated data.
What is CBrN?
Cyanogen bromide is a volatile inorganic compound that serves as a versatile reagent in chemical synthesis and biochemical research. It is frequently utilized for its ability to selectively cleave peptide bonds and to modify proteins for analytical purposes.
What is CBrN used for?
What is the band gap of CBrN?
Is CBrN a metal, semiconductor, or insulator?
Is CBrN thermodynamically stable?
What is the crystal structure of CBrN?
What is the density of CBrN?
How many polymorphs of CBrN are known?
What elements does CBrN contain?
Where does the data for CBrN come from?
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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