1-(3-Sulfophenyl)-3-methyl-5-pyrazolone supplier

Name
1-(3-Sulfophenyl)-3-methyl-5-pyrazolone
EINECS 204-303-0
CAS No. 119-17-5
Density 1.53 g/cm³
Solubility
Melting Point 335 °C(lit.)
Formula C₁₀H₁₀N₂O₄S
Boiling Point
Molecular Weight 254.266
Flash Point
Transport Information
Appearance
Safety 36/37
Risk Codes 43
Molecular Structure
Hazard Symbols Xi
Synonyms Benzenesulfonicacid, m-(3-methyl-5-oxo-2-pyrazolin-1-yl)- (7CI,8CI);1-(3'-Sulfophenyl)-3-methyl-5-pyrazolone;3-(3-Methyl-5-oxo-4,5-dihydropyrazol-1-yl)benzenesulfonic acid;3-(5-Hydroxy-3-methyl-pyrazol-1-yl)benzene sulfonic acid;3-Methyl-1-(3-sulfophenyl)-5-pyrazolone;3-Methyl-1-(3'-sulfophenyl)-5-pyrazolone;3-Methyl-1-(m-sulfophenyl)-2-pyrazolin-5-one;NSC 15354;NSC 50668;m-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzenesulfonic acid;
PSA 95.42000
LogP 1.62730

1-(3-Sulfophenyl)-3-methyl-5-pyrazolone Specification

The Benzenesulfonic acid,3-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, with the CAS registry number 119-17-5 and EINECS registry number 204-303-0, has the systematic name of 3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid. It is usually used as intermediates of Dyes and Pigments. And the molecular formula of this chemical is C₁₀H₁₀N₂O₄S.

The physical properties of Benzenesulfonic acid,3-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)- are as following: (1)ACD/LogP: -1.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.81; (4)ACD/LogD (pH 7.4): -4.81; (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: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 84.42 Å²; (13)Index of Refraction: 1.666; (14)Molar Refractivity: 61.81 cm³; (15)Molar Volume: 166.1 cm³; (16)Polarizability: 24.5×10^-24cm³; (17)Surface Tension: 63.9 dyne/cm; (18)Density: 1.53 g/cm³.

You should be cautious while dealing with this chemical. It may cause sensitization by skin contact. Therefore, you had better Wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)c1cccc(c1)N2/N=C(\CC2=O)C
(2)InChI: InChI=1/C10H10N2O4S/c1-7-5-10(13)12(11-7)8-3-2-4-9(6-8)17(14,15)16/h2-4,6H,5H2,1H3,(H,14,15,16)
(3)InChIKey: VEMGKBUHUTYHHA-UHFFFAOYAZ

Product Name

1-(3-Sulfophenyl)-3-methyl-5-pyrazolone

1-(3-Sulfophenyl)-3-methyl-5-pyrazolone Specification

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