4-Methoxy-2-methylaniline 4-Methoxy-2-methylaniline

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:102-50-1

MDL number:MFCD00007735

EINECS number:203-036-7

RTECS number:BZ6730000

BRN number:774727

PubChem number:24896654

Physical property data

1. Density (g/mL, 25℃): 1.065

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

3. Melting point (ºC): 13-14

4. Boiling point (ºC, normal pressure): 248-249

5. Boiling point (ºC, mmHg):

6. Refractive index: 1.565

7. Flash point (ºC): 124

8. Specific rotation (º): Undetermined

9. Spontaneous combustion Point or ignition temperature (ºC): Not determined

10. Vapor pressure (mmHg, 20ºC): Not determined

11. Saturated vapor pressure (kPa, ºC): Not determined

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

13. Critical temperature (ºC): Undetermined

14. Critical pressure (KPa) : Undetermined

15. Log value of oil-water (octanol/water) partition coefficient: Undetermined

16. Explosion upper limit (%, V/V): Undetermined

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

18. Solubility: Undetermined

Toxicological data

Chronic toxicity/carcinogenicity: Rat oral TDLo: 62mg/kg/77W-I; Mouse oral TDLo: 29800mg/kg/53W-I; Rat oral TDLo: 31mg/kg/77W-I; Mouse Oral TD: 29mg/kg/53W-I; Mouse oral TD: 14900mg/kg/53W-I; Rat oral TD: 30800mg/kg/77W-I; Rat oral TD: 61600mg/kg/ 77W-I; 2. Mutagenicity: Mutant microorganism test: bacteria-Salmonella typhimurium, 1mg/plate; Morphological transformation test: rat embryo, 51500μg/plate;

Ecological data

This item��Slightly harmful to water.

Molecular structure data

1. Molar refractive index: 41.99

2. Molar volume (cm³/mol): 131.9

3. Isotonic specific volume (90.2K ): 327.4

4. Surface tension (dyne/cm): 37.8

5. Dielectric constant:

6. Dipole moment (10^-24cm³):

7. Polarizability: 16.64

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: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 35.2

7. Number of heavy atoms: 10

8. Surface charge: 0

9. Complexity: 105

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

Avoid contact with oxidizing agents.

Storage method

Store in a cool, ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. Keep container tightly sealed. should be kept away from oxidizer, do not store together. Equipped with the appropriate variety and quantity of fire equipment. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

None yet

Purpose

Used as pharmaceutical and dye intermediates.