5-bromoisatin

structural formula

• 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: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.