Structural formula
Business number | 01X7 |
---|---|
Molecular formula | C8H3BrO3 |
Molecular weight | 227.01 |
label |
None yet |
Numbering system
CAS number:86-90-8
MDL number:None
EINECS number:201-707-9
RTECS number:None
BRN number:None
PubChem ID:None
Physical property data
1. Characteristics: off-white to white powder 2. Density (g/mL,25/4℃): Undetermined 3. Relative vapor density (g/mL,AIR=1): Undetermined 4. Melting point (ºC):107℃ 5. Boiling point (ºC,Normal pressure):301 6. Boiling point (ºC,5.2kPa): Undetermined 7. Refractive index: Undetermined 8. Flash Point (ºC): Undetermined 9. Specific optical rotation (º): Undetermined 10. Autoignition point or ignition temperature (ºC): Undetermined 11. Vapor pressure (kPa,25ºC): Undetermined 12. 17. Explosion upper limit (%,V/V): Undetermined 18. Lower explosion limit (%,V/V): Undetermined 19. Solubility: Undetermined
Toxicological data
None yet
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 43.37
2. Molar volume (m3/mol):118.7
3. isotonic specific volume (90.2K):334.1
4. Surface Tension (dyne/cm):62.7
5. Polarizability(10-24cm3):17.19
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 2
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: none
6. Topological molecule polar surface area 43.4
7. Number of heavy atoms: 12
8. Surface charge: 0
9. Complexity: 239
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
This product should be sealed, dry and protected from light.
Synthesis method
None yet
Purpose
Organic synthesis.
so-margin-top-alt: auto; mso-margin-bottom-alt: auto; mso-list: l0 level2 lfo1″ align=left>3. Isotonic specific volume (90.2K): 334.1
4. Surface Tension (dyne/cm):62.7
5. Polarizability(10-24cm3):17.19
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 2
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: none
6. Topological molecule polar surface area 43.4
7. Number of heavy atoms: 12
8. Surface charge: 0
9. Complexity: 239
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
This product should be sealed, dry and protected from light.
Synthesis method
None yet
Purpose
Organic synthesis.