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Dichlorosulfophenyl-3-methylpyrazolone

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Dichlorosulfophenyl-3-methylpyrazolone

EINECS 201-541-7
CAS No. 84-57-1 Density 1.74 g/cm3
PSA 95.42000 LogP 2.93410
Solubility N/A Melting Point 346 °C (dec.)(lit.)
Formula C10H6Cl2N2O4S Boiling Point 221oC
Molecular Weight 323.16 Flash Point N/A
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 84-57-1 (Dichlorosulfophenyl-3-methylpyrazolone) Hazard Symbols IrritantXi
Synonyms

Benzenesulfonicacid, 2,5-dichloro-4-(3-methyl-5-oxo-2-pyrazolin-1-yl)- (6CI,8CI);1-(2',5'-Dichloro)phenyl-3-methyl-5-pyrazolone-4'-sulfonic acid;1-(2',5'-Dichloro-4'-sulfophenyl)-3-methyl-5-pyrazolone;2,5-dichloro-4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulfonicacid;NSC 50666;p-(3-Methyl-5-oxo-2-pyrazolin-1-yl)-2,5-dichlorbenzenesulfonicacid;

 

Dichlorosulfophenyl-3-methylpyrazolone Consensus Reports

Reported in EPA TSCA Inventory.

Dichlorosulfophenyl-3-methylpyrazolone Specification

The Dichlorosulfophenyl-3-methylpyrazolone, with the CAS registry number 84-57-1 and EINECS registry number 201-541-7, belongs to the product categories of Intermediates of Dyes and Pigments. And the molecular formula of this chemical is C10H6Cl2N2O4S.

The physical properties of Dichlorosulfophenyl-3-methylpyrazolone are as following: (1)ACD/LogP: -0.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.57; (4)ACD/LogD (pH 7.4): -3.57; (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: 1.695; (14)Molar Refractivity: 71.01 cm3; (15)Molar Volume: 184.7 cm3; (16)Polarizability: 28.15×10-24cm3; (17)Surface Tension: 66.3 dyne/cm; (18)Density: 1.74 g/cm3.

Preparation of Dichlorosulfophenyl-3-methylpyrazolone: It can be prepared from 2,5 - dichloroaniline via a series of sulphonation, diazotization, reduction, condensation, neutralization and acidification.

Dichlorosulfophenyl-3-methylpyrazolone can be prepared from 2,5 - dichloroaniline via a series of sulphonation, diazotization, reduction, acidification, condensation, neutralization and acidification again

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)c2cc(Cl)c(N1/N=C(\CC1=O)C)cc2Cl
(2)InChI: InChI=1/C10H8Cl2N2O4S/c1-5-2-10(15)14(13-5)8-3-7(12)9(4-6(8)11)19(16,17)18/h3-4H,2H2,1H3,(H,16,17,18)
(3)InChIKey: KCEIVWKDBLAQKL-UHFFFAOYAC

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