5-Chloro-2,4-dimethoxyaniline
Structural formula
Business number | 02C7 |
---|---|
Molecular formula | C8H10ClNO2 |
Molecular weight | 187.62 |
label |
2,4-Dimethoxy-5-chloroaniline |
Numbering system
CAS number:97-50-7
MDL number:MFCD00025752
EINECS number:202-586-5
RTECS number:None
BRN number:2211013
PubChem number:24862121
Physical property data
- Characteristics: white to light gray crystal.
- Density (g/mL, 20℃): Undetermined
- Relative vapor density (g/mL, air=1): Undetermined
- Melting point ( ºC): 89-92
- Boiling point (ºC, normal pressure): Undetermined
- Boiling point (ºC, KPa): Undetermined
- Refractive index: Undetermined Determined
- Flash point (ºC): Not determined
- Specific optical rotation (º): Not determined
- Autoignition point or ignition temperature (ºC): Not determined Determined
- Vapor pressure (mmHg, 20.2ºC): Undetermined
- Saturation vapor pressure (kPa, ºC): Undetermined
- Heat of combustion (KJ/mol ): Undetermined
- Critical temperature (ºC): Undetermined
- Critical pressure (KPa): Undetermined
- Oil-water (octanol/water) partition coefficient Log value: Undetermined
- Upper explosion limit (%, V/V): Undetermined
- Lower explosion limit (%, V/V): Undetermined
- Solubility: Not determined
Toxicological data
None
Ecological data
None
Molecular structure data
1. Molar refractive index: 45.64
2. Molar volume (cm3/mol): 132.6
3. Isotonic specific volume (90.2K ): 359.2
4. Surface tension (dyne/cm): 53.7
5. Polarizability (10-24cm3): 18.09
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 1.8
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: none
6. Topological molecule polar surface area 44.5
7. Number of heavy atoms: 12
8. Surface charge: 0
9. Complexity: 145
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
None
Synthesis method
None
Purpose
Used in the synthesis of naphthol AS-ITR, Pigment Red 5 and other dyes and their intermediates.
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