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