5-Aminoisophthalic acid 5-Aminoisophthalic acid
Structural formula
| Business number | 02FL |
|---|---|
| Molecular formula | C8H7NO4 |
| Molecular weight | 181.15 |
| label |
5-Aminoisophthalic acid, 5-Aminoisophthalic acid, 5-Amino-3-benzenedicarboxylicacid, Aminoisophthalic(5-) acid, 5-Amino-1,3-isophthalic acid, 5-Amino-1,3-benzenedicarboxylic acid, 5-Aminoisophthalic, 5-Aminoisophthalic acid, 5-Aminoisophthalic acid hydrate, 5-Aipa |
Numbering system
CAS number:99-31-0
MDL number:MFCD00002522
EINECS number:202-748-5
RTECS number:None
BRN number:2805628
PubChem number:24851211
Physical property data
1. Properties: light brown powder.
2. Density (g/mL, 20℃): Undetermined
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): >300
5. Boiling point (ºC, normal pressure): Undetermined
6. Boiling point (ºC, kPa): Undetermined
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7. Refractive index: Undetermined
8. Flash point (ºC): Undetermined
9. Specific rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Not determined
11. Vapor pressure (mmHg, 20.2ºC): Not determined
12. Saturated vapor pressure (kPa, ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Log value of oil-water (octanol/water) distribution coefficient: Undetermined
17. Explosion upper limit (%, V /V): Undetermined
18. Lower explosion limit (%, V/V): Undetermined
19. Solubility: Undetermined
Toxicological data
1. Acute toxicity: Rat oral LD5O: 1600mg/kg
Ecological data
This substance is slightly hazardous to water.
Molecular structure data
1. Molar refractive index: 44.34
2. Molar volume (cm3/mol): 116.7
3. Isotonic specific volume (90.2K ): 357.3
4. Surface tension (dyne/cm): 87.7
5. Dielectric constant:
6. Dipole moment (10-24cm3):
7. Polarizability: 17.58
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 0.3
2. Number of hydrogen bond donors: 3
3. Number of hydrogen bond acceptors: 5
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: none
6. Topological molecule polar surface area 101
7. Number of heavy atoms: 13
8. Surface charge: 0
9. Complexity: 206
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 strong oxidizing agents.
Storage method
Store in a cool, ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. The packaging is sealed. should be kept away from oxidizer, do not store together. Equipped with the appropriate variety and quantity of fire equipment. Suitable materials should be available in the storage area to contain spills.
Synthesis method
None yet
Purpose
Used as organic synthesis intermediate
