2,2′,4,4′-Tetrahydroxybenzophenone
Structural formula
| Business number | 03N1 |
|---|---|
| Molecular formula | C13H10O5 |
| Molecular weight | 246.22 |
| label |
Bis(2,4-dihydroxyphenyl)-methanone, 2,2′,4,4′-Tetrahydroxybenzophenone, 2,2′,4,4′-Tetrahydroxybenzophenone, Bis(2,4-dihydroxyphenyl)-methanone, [(HO)2C6H3]2CO, aromatic compounds |
Numbering system
CAS number:131-55-5
MDL number:MFCD00002278
EINECS number:205-028-9
RTECS number:DJ1892000
BRN number:None
PubChem number:24899983
Physical property data
1. Characteristics: light yellow crystalline powder
2. Melting point (℃):>195.0
Toxicological data
1, skin / Eye irritation toxicity: Rabbit eyes standard Drez eye dye test: 100mg Moderately irritating to the eyes Stimulating effect.
2, acute toxicity: rat oral LD5O: 1220mg/kg
3, mutagenicity: Salmonella gene mutation: 100ug/plate
Genetic analysis of mouse lymphocytes: 200ug/plate
Sister chromosome monomer exchange in mouse lymphocytes: 200ug/plate
Ecological data
None yet
Molecular structure data
5. Molecular property data:
1、 Moore Refractive index: 63.57
2、 Moore Volume (m3/mol):161.2
3、 Isotonic specific volume (90.2K) ：486.9
4、 Surface Tension (dyne/cm):83.1
5、 Polarizability (10-24cm3):25.20
Molar volume (m3/mol):161.2
3、 Isotonic specific volume (90.2K) ：486.9
4、 Surface Tension (dyne/cm):83.1
5、 Polarizability (10-24cm3):25.20
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 2.4
2. Number of hydrogen bond donors: 4
3. Number of hydrogen bond acceptors: 5
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: 72
6. Topological molecule polar surface area 98
7. Number of heavy atoms: 18
8. Surface charge: 0
9. Complexity: 278
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 yet
Storage method
None yet
Synthesis method
None yet
Purpose
None yet
2 id=”js”>Calculate chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 2.4
2. Number of hydrogen bond donors: 4
3. Number of hydrogen bond acceptors: 5
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: 72
6. Topological molecule polar surface area 98
7. Number of heavy atoms: 18
8. Surface charge: 0
9. Complexity: 278
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 yet
Storage method
None yet
Synthesis method
None yet
Purpose
None yet