5-bromoisatin
structural formula
| business number | 01y1 |
|---|---|
| molecular formula | c8h4brno2 |
| molecular weight | 226.03 |
| label |
5-bromoindolindione, 5-bromoindoline-2,3-dione |
numbering system
cas number:87-48-9
mdl number:mfcd00005719
einecs number:201-747-7
rtecs number:nl7875000
brn number:383760
pubchem number:24871320
physical property data
1. character: yellow crystal
2. density (g/ml,25/4℃): undetermined
3. relative vapor density (g/ml,air=1): undetermined
4. melting point (ºc):255-258℃
5. boiling point (ºc,normal pressure): undetermined
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
12.2. neurotoxicity
rabbit eye test: 500 mg/24hreaction
ecological data
none yet
molecular structure data
1. molar refractive index:45.11
2. molar volume (m3/mol):123.7
3. isotonic specific volume (90.2k): 342.1
4. surface tension (dyne/cm): 58.4
5. polarizability（10-24 cm3):17.88
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 1
3. number of hydrogen bond acceptors: 2
4. number of rotatable chemical bonds: 0
5. number of tautomers: 5
6. topological molecule polar surface area 46.2
7. number of heavy atoms: 12
8. surface charge: 0
9. complexity: 241
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 and stored in a cool and dry place.
synthesis method
none yet
purpose
for biochemical research and organic synthesis.
nt-family: 宋体; mso-ascii-font-family: arial; mso-hansi-font-family: arial; mso-bidi-font-family: arial”>polarizability (10-24cm3) ：17.88
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 1
3. number of hydrogen bond acceptors: 2
4. number of rotatable chemical bonds: 0
5. number of tautomers: 5
6. topological molecule polar surface area 46.2
7. number of heavy atoms: 12
8. surface charge: 0
9. complexity: 241
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 and stored in a cool and dry place.
synthesis method
none yet
purpose
for biochemical research and organic synthesis.
