5-methylisatin structural formula

Structural formula

Business number 06A0
Molecular formula C9H7NO2
Molecular weight 161.16




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


Seal the secret container and store it in a sealed main container in a cool place Dry position.

Synthesis method

None yet


None yet


This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.allhdi.com/archives/49471


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