1,4-Benzenedisulfonicacid, 2-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)- supplier

Name
2-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzene-1,4-disulphonic acid
EINECS 259-362-5
CAS No. 54817-63-9
Density 1.81 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₀N₂O₇S₂
Boiling Point
Molecular Weight 334.33
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(2,5-Disulfophenyl)-3-methyl-5-pyrazolone;3-Methyl-1-(2,5-disulfophenyl)-5-pyrazolone;2-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzene-1,4-disulphonic acid;2-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzene-1,4-disulfonic acid;
PSA 158.17000
LogP 1.95480

1,4-Benzenedisulfonicacid, 2-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)- Specification

The 1,4-Benzenedisulfonicacid, 2-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, with the CAS registry number 54817-63-9, is also known as 2-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzene-1,4-disulphonic acid. Its EINECS number is 259-362-5. This chemical's molecular formula is C₁₀H₁₀N₂O₇S₂ and molecular weight is 334.33. What's more, its systematic name is 2-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzene-1,4-disulfonic acid.

Physical properties of 1,4-Benzenedisulfonicacid, 2-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)- are: (1)ACD/LogP: -2.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -6.69; (4)ACD/LogD (pH 7.4): -6.69; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 9; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 136.17 Å²; (13)Index of Refraction: 1.718; (14)Molar Refractivity: 72.41 cm³; (15)Molar Volume: 183.7 cm³; (16)Polarizability: 28.7×10^-24cm³; (17)Surface Tension: 84.1 dyne/cm; (18)Density: 1.81 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)c2ccc(c(N1/N=C(\CC1=O)C)c2)S(=O)(=O)O
(2)InChI: InChI=1S/C10H10N2O7S2/c1-6-4-10(13)12(11-6)8-5-7(20(14,15)16)2-3-9(8)21(17,18)19/h2-3,5H,4H2,1H3,(H,14,15,16)(H,17,18,19)
(3)InChIKey: ZGXJVLAIEZQGHY-UHFFFAOYSA-N

Product Name

2-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzene-1,4-disulphonic acid

1,4-Benzenedisulfonicacid, 2-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)- Specification

Related Products

Hot Products