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
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

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.

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