4-Methoxy-2-methylaniline 4-Methoxy-2-methylaniline
Structural formula
| Business number | 02M5 |
|---|---|
| Molecular formula | C8H11NO |
| Molecular weight | 137.18 |
| label |
1-amino-4-methoxy-2-methylbenzene, 1-Amino-4-Methoxy-2-Methylbenzene, m-Cresidine |
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.