2,2′,4,4′-tetrahydroxybenzophenone

structural formula

• numbering system
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

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