5-methylisatin

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: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

Resource:allhdi.com