Structural formula

Business number	0266
Molecular formula	C11H11N
Molecular weight	157.21
label	2,7-Methylquinaldine, m-Toluquinaldine

• 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:93-37-8

MDL number:MFCD00006763

EINECS number:202-242-4

RTECS number:None

BRN number:None

PubChem number:24848739

Physical property data

1. Properties: needle-like crystals.

2. Density (g/mL, 25/4℃): 1.0611.

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

4. Melting point (oC): 61

5. Boiling point ( oC, normal pressure): 264～265

6. Boiling point (oC, 5.2kPa): Undetermined

7. Refractive index: 1.6075.

8. Flash point (oC): Not determined

9. Specific rotation (o): Undetermined

10. Autoignition point or ignition temperature (oC): Undetermined

11. Vapor pressure (kPa, 25oC): Undetermined

12. Saturated vapor pressure (kPa, 60oC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (oC): Undetermined

15. Critical pressure (KPa): Undetermined

p>

16. The logarithmic value of the oil-water (octanol/water) partition coefficient: Undetermined

17. The upper limit of explosion (%, V/V): Undetermined

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

19. Solubility: Soluble in ethanol, ether and benzene.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 51.83

2. Molar volume (cm³/mol): 149.3

3. Isotonic specific volume (90.2K ): 380.5

4. Surface tension (dyne/cm): 42.1

5. Polarizability (10-24cm3): 20.54

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 3

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 12.9

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 155

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

This product should be sealed and stored away from light.

Synthesis method

Heat the aniline with iodine to 170-175°C, add acetone dropwise, and stir vigorously while collecting the distillate. Aniline and the middle fraction 2,2,4 trimethyl-1,2-dihydroquinoline are separated from the reaction mixture and distillate by distillation under reduced pressure. The latter is heated and reacted with anhydrous aniline, metallic sodium and copper powder, and fractionated under reduced pressure from the reactants to obtain 2,4-dimethylquinoline with a yield of 80-90%.

Purpose

Used in organic synthesis. Dye intermediates. ??

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