5-methylisatin
structural formula
| business number | 06a0 |
|---|---|
| molecular formula | c9h7no2 |
| molecular weight | 161.16 |
| label |
5-methyl-2,3-indoledione, 5-methylindole-2,3-dione, 5-methylindole-2,3-dione |
numbering system
cas number:608-05-9
mdl number:mfcd00005721
einecs number:210-152-1
rtecs number:nl7939300
brn number:123738
pubchem number:24896609
physical property data
1. characteristics: purple-red crystal
2. melting point:184-188℃
toxicological data
none yet
ecological data
3. ecological data:
1, other harmful effects: this substance may be harmful to the environment, special attention should be paid to water bodies.
molecular structure data
5. molecular property data:
1, molar refractive index:42.24
2, molar volume (m3/mol):123.8
3, isotonic specific volume (90.2k):329.3
4、 surface tension (dyne/cm):50.0
5, polarizability (10-24cm3 ):16.74
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: 15
6. topological molecule polar surface area 46.2
7. number of heavy atoms: 12
8. surface charge: 0
9. complexity: 237
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
1. properties: this product is purple-red crystal.
storage method
storage:
seal the secret container and store it in a sealed main container in a cool place dry position.
synthesis method
none yet
purpose
none yet
