2,3-Dimethylindole

2,3-Dimethylindole Structural Formula

Structural formula

Business number 023M
Molecular formula C10H11N
Molecular weight 145.20
label

None yet

Numbering system

CAS number:91-55-4

MDL number:MFCD00005617

EINECS number:202-076-2

RTECS number:NL7185000

BRN number:116662

PubChem number:24847431

Physical property data

1. Characteristics: frond crystals.


2. Density (g/mL,25/4℃): Undetermined


3. Relative vapor density (g/mL,Air=1): Undetermined


4. Melting point (ºC):107 -109


5. Boiling point (ºC,Normal pressure): Undetermined


6. Boiling point (ºC, 100KP):285


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. Saturated vapor�Explosion limit (%,V/V): Undetermined


18. Lower explosion limit (%,V/V): Undetermined


19. Solubility: Soluble in ethanol, ether and concentrated hydrochloric acid, slightly soluble in hot water and petroleum.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 48.17


2. Molar volume (m3/mol):134.4


3. isotonic specific volume (90.2K):346.0


4. Surface Tension (dyne/cm):43.8


5. Polarizability10-24cm3):19.09

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2.8

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 0

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 15.8

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 144

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

Storage method

Should be sealed and stored in a cool place.

Synthesis method

It is derived from the condensation and ring closure of phenylhydrazine and methyl ethyl ketone in the presence of sulfuric acid.

Purpose

Used as dye intermediate.

-hansi-font-family: Arial; mso-bidi-font-family: Arial”>):346.0


4. Surface Tension (dyne/cm):43.8


5. Polarizability10-24cm3):19.09

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2.8

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 0

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 15.8

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 144

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

Storage method

Should be sealed and stored in a cool place.

Synthesis method

It is derived from the condensation and ring closure of phenylhydrazine and methyl ethyl ketone in the presence of sulfuric acid.

Purpose

Used as dye intermediate.

This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.allhdi.com/archives/47335

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