3,4,5,6-Tetrabromo-o-cresol
Structural formula
| Business number | 05V7 |
|---|---|
| Molecular formula | C7H4Br4O |
| Molecular weight | 423.72 |
| label |
2,3,4,5-Tetrabromo-6-methyl-pheno, aromatic compounds |
Numbering system
CAS number:576-55-6
MDL number:MFCD00002148
EINECS number:209-403-8
RTECS number:GP3135000
BRN number:None
PubChem number:24856732
Physical property data
1. Physical property data
1. Melting point (ºC): 209-213
Toxicological data
None
Ecological data
None
Molecular structure data
5. Molecular property data: 1. Molar refractive index:63.72 2. Molar volume (m3/mol）：168.8 3. isotonic specific volume (90.2K):461.9 4. Surface Tension (dyne/cm):55.9 5. Polarizability（10-24cm3):25.26 |
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 4.7
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: 3
6. Topological molecule polar surface area 20.2
7. Number of heavy atoms: 12
8. Surface charge: 0
9. Complexity: 166
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
Storage method
None
Synthesis method
None
Purpose
None
