1-acetyl isatin

Structural formula

Business number	05UK
Molecular formula	C10H7NO3
Molecular weight	189.17
label	N-acetyl isatin, 1-acetyl-2,3-indolequinone, N-acetyl isatin, 1-Acetyl-1h-indole-3-dione, 1-Acetyl-indole-2,3-dione, aromatic compounds

• 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:574-17-4

MDL number:MFCD00158542

EINECS number:209-368-9

RTECS number:NL7873800

BRN number:113959

PubChem ID:None

Physical property data

1. Physical property data

1. Characteristics: yellow crystal

2. Melting point (℃):144

Toxicological data

None

Ecological data

None

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 46.84

2. Molar volume (m³/mol）：133.8

3. isotonic specific volume (90.2K):374.4

4. Surface Tension (dyne/cm):61.2

5. Polarizability（10^-24cm³):18.57

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 54.4

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 311

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. Basic properties

Yellow crystal. Melting point144℃ , insoluble in water, soluble in alcohol, acetone.

Storage method

None

Synthesis method

2. Brief description of production method

Heat isatin and acetic anhydride under stirring to reflux4h, then cool to room temperature, then cool to 10℃, filter out the crystals, wash with ether, and dry, that is GETN-Acetyl isatin.

Purpose

3. Purpose

Used in organic synthesis.

Resource:allhdi.com</a