Pyroline Purpurin

Pyroline structural formula

Structural formula

Business number 01S8
Molecular formula C14H8O5
Molecular weight 256.21
label

1,2,4-Trihydroxyanthraquinone,

1,2,4-Trihydroxyanthraquinone

Numbering system

CAS number:81-54-9

MDL number:MFCD00001203

EINECS number:201-359-8

RTECS number:CB8200000

BRN number:1887127

PubChem number:24888018

Physical property data

1. Character: Orange needle-like crystal or red needle-like crystal


2. Density (g/mL,25/4℃): Unsure


3. Relative vapor density (g/mL,air=1): Unsure


4. Melting point (ºC):253 -256


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


Rabbit eye test: 500mg/24H;

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 64.31


2. Molar volume (m3/mol):154.3


3. isotonic specific volume (90.2K):480.4


4. Surface Tension (dyne/cm):93.9


5. Polarizability10-24cm3):25.49


Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2.9

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 5

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 30

6. Topological molecule polar surface area 94.8

7. Number of heavy atoms: 19

8. Surface charge: 0

9. Complexity: 407

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

This product should be sealed and stored in a dry and dark place.

Synthesis method

None yet

Purpose

Nuclear staining. Detects zirconium, boron, calcium and fluorine.

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Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2.9

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 5

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 30

6. Topological molecule polar surface area 94.8

7. Number of heavy atoms: 19

8. Surface charge: 0

9. Complexity: 407

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

This product should be sealed and stored in a dry and dark place.

Synthesis method

None yet

Purpose

Nuclear staining. Detects zirconium, boron, calcium and fluorine.

This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.chemicalchem.com/archives/24683

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