2,4,6-Trihydroxybenzoic acid 2,4,6-Trihydroxybenzoic acid
Structural formula
| Business number | 01TL |
|---|---|
| Molecular formula | C7H6O5 |
| Molecular weight | 170.12 |
| label |
Phloroglucinol formic acid, 2,4,6-Trihydroxybenzoic acid monohydrate, Phloroglucinol carboxylic acid, Phloroglucinic acid, Phloroglucinolcarboxylic acid |
Numbering system
CAS number:83-30-7
MDL number:MFCD00002453
EINECS number:201-467-5
RTECS number:DH8910000
BRN number:2212148
PubChem number:24889588
Physical property data
1. Physical property data
1. Character: Uncertain.
2. Density (g/mL,25/4℃) : Unsure
3. Relative vapor density (g/mL,AIR=1): Unsure
4. Melting point (ºC):210
5. Boiling point (ºC,Normal pressure): Uncertain
6. Boiling point (ºC,5.2kPa): Unsure
7. Refractive index: Uncertain
8. Flash Point (ºC): Unsure
9. Specific optical rotation (º): Unsure
10. Autoignition point or ignition temperature (ºC): Unsure
11. Vapor pressure (kPa,25ºC): Unsure
12. Saturated vapor pressure (kPa,60ºC): Unsure
13. Heat of combustion (KJ/mol): Unsure
14. Critical temperature (ºC): Unsure
15. Critical pressure (KPa): Unsure
16. Oil and water (octanol/Log value of water) partition coefficient: Uncertain
17. Explosion limit (%,V/V): Unsure
18. Lower explosion limit (%,V/V): Unsure
19. Solubility: Uncertain.
Toxicological data
Acute toxicity:
Mouse abdominal cavity LD50: >800 mg/kg;
Ecological data
None
Molecular structure data
None
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 4
3. Number of hydrogen bond acceptors: 5
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: 15
6. Topological molecule polar surface area 98
7. Number of heavy atoms: 12
8. Surface charge: 0
9. Complexity: 169
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
None
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17. Explosion limit (%,V/V): Unsure
18. Lower explosion limit (%,V/V): Unsure
19. Solubility: Uncertain.
Toxicological data
Acute toxicity:
Mouse abdominal cavity LD50: >800 mg/kg;
Ecological data
None
Molecular structure data
None
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 4
3. Number of hydrogen bond acceptors: 5
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: 15
6. Topological molecule polar surface area 98
7. Number of heavy atoms: 12
8. Surface charge: 0
9. Complexity: 169
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
None
None