2-bromomesitylene
Structural formula
| Business number | 05V9 |
|---|---|
| Molecular formula | C9H11Br |
| Molecular weight | 199.09 |
| label |
2-Bromo-1,3,5-trimethylbenzene, 2-Bromo-1,3,5-trimethylbenzene, aromatic compounds |
Numbering system
CAS number:576-83-0
MDL number:MFCD00000073
EINECS number:209-405-9
RTECS number:None
BRN number:1907245
PubChem number:24850496
Physical property data
1. Character: Liquid. Evaporates in steam.
2. Density (g/mL,25/4 ℃): 1.301
3. Relative vapor density (g/mL,air=1): Undetermined
4. Melting point (ºC ): 2
5. Boiling point (ºC,Normal pressure): 225
6. Boiling point (ºC,5.2kPa): Undetermined
7. Refractive index:1.5511
8. Flash point (ºC): 96
9. Specific rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa,25ºC): Undetermined
12. Saturated vapor pressure (kPa, 60ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Oil and water (octanol/Log value of the partition coefficient (water): undetermined
17. Explosion upper limit (%,V/V): Not OK
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility:Soluble in benzene and ether, insoluble in water.
Toxicological data
None yet
Ecological data
None yet
Molecular structure data
5. Molecular property data: 1. Molar refractive index: 48.41 2. Molar volume (m3/mol）：154.4 3. Isotonic specific volume (90.2K): 370.7 4. Surface Tension (dyne/cm):33.1 5. Polarizability（10-24cm3):19.19
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 3.7
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: 10
8. Surface charge: 0
9. Complexity: 99.3
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
Storage method
This product should be sealed Store in a cool place.
Synthesis method
Mesitylene is obtained by bromination of mesitylene.
Purpose
For organic synthesis.
