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.
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