1-(2-chloro-5-sulfonophenyl)-3-methyl-5-pyrazolinone

1-(2-chloro-5-sulfonophenyl)-3-methyl-5  -Pyrazolone structural formula

1-(2-chloro-5-sulfonophenyl)-3-methyl-5  -Pyrazolone structural formula

Structural formula

Business number 0202
Molecular formula C10H9ClN2O4S
Molecular weight 288.71
label

4-Chloro-3-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-benzenesulfonic acid,

3-Methyl-1-(2′-chloro-5′-phenylsulfonate)-5-pyrazolinone,

1-(2-Chloro-5-sulfophenyl)-3-methyl-2-pyrazolin-5-one,

3-Methyl-1-(2-chloro-5-sulfophenyl)-5-pyrazolone

Numbering system

CAS number:88-76-6

MDL number:MFCD00020745

EINECS number:201-858-0

RTECS number:None

BRN number:None

PubChem number:24879588

Physical property data

None

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 66.41

2. Molar volume (cm3/mol): 175.4

3. Isotonic specific volume (90.2K ): 498.5

4. Surface tension (dyne/cm): 65.2

5. Polarizability (10-24cm3): 26.32

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 0.6

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 5

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 3

6. Topological molecule polar surface area 95.4

7. Number of heavy atoms: 18

8. Surface charge: 0

9. Complexity: 485

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

Storage method

None

Synthesis method

None

Purpose

None

BDMAEE:Bis (2-Dimethylaminoethyl) Ether

CAS NO:3033-62-3

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