Toluene diisocyanate manufacturer Knowledge 5-oxo-1-(4-sulfophenyl)-2-pyrazoline-3-carboxylic acid

5-oxo-1-(4-sulfophenyl)-2-pyrazoline-3-carboxylic acid

5-oxo-1-(4-sulfophenyl)-2-pyrazoline-3  -Carboxylic acid structural formula

Structural formula

Business number 039T
Molecular formula C10H8N2O6S
Molecular weight 284.25
label

Heterocyclic compounds

Numbering system

CAS number:118-47-8

MDL number:None

EINECS number:None

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

None yet

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

5. Molecular property data:


1, Moore Refractive index: 63.70


2, Molar volume (m3/mol): 161.5


3 Isotonic specific volume (90.2K) :488.5


4, Surface Tension (dyne/cm):83.5


5 Polarizability (10-24cm3):25.25

Compute chemical data

1. Hydrophobic parameters Calculate reference value (XlogP):-0.3


2. Hydrogen Bonding Number of donors: 2


3. Hydrogen Bonding Number of receptors: 7


4. Rotatable Number of chemical bonds: 3


5. Interchange Number of isomers: 3


6. Topological molecules Polar surface area (TPSA):124


7. Heavy atoms Quantity: 19


8. Surface charge :0


9. Complexity :527


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 stereocenters of chemical bonds:0


14. Uncertain number of 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

Mainly used as intermediates for dyes, pigments, and pharmaceuticals.

style=”FONT-SIZE: 9pt; FONT-FAMILY: Arial; mso-fareast-font-family: Arial”>13, Determine the number of stereocenters of chemical bonds:0


14. Uncertain number of 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

Mainly used as intermediates for dyes, pigments, and pharmaceuticals.

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