Pentabromotoluene
Structural formula
| Business number | 01YL |
|---|---|
| Molecular formula | C7H3Br5 |
| Molecular weight | 486.62 |
| label |
C6Br5CH3 |
Numbering system
CAS number:87-83-2
MDL number:MFCD00000060
EINECS number:201-774-4
RTECS number:DA6639500
BRN number:None
PubChem number:24854991
Physical property data
None yet
Toxicological data
None yet
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 69.52
2. Molar volume (cm3/mol): 186.6
3. Isotonic specific volume (90.2K ): 497.3
4. Surface tension (dyne/cm): 50.4
5. Polarizability (10-24cm3): 27.56
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 5.7
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 0
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: none
6. Topological molecule polar surface area 0
7. Number of heavy atoms: 12
8. Surface charge: 0
9. Complexity: 146
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
None yet
Storage method
None yet
Synthesis method
None yet
Purpose
None yet
