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

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Storage method

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Synthesis method

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Purpose

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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

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Purpose

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