1-(2′,5′-Dichloro-4′-sulfophenyl)-3-methyl-5-pyrazolone
Properties
- Molecular formula
- C10H8Cl2N2O4S
- Molar mass
- 323.14 g/mol
- Exact mass
- 321.9582 Da
- logP
- 2.35Crippen estimate
- Polar surface area
- 87.0 Ų
- H-bond donors / acceptors
- 1 / 4
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
84-57-1SMILES
CC1=NN(c2cc(Cl)c(S(=O)(=O)O)cc2Cl)C(=O)C1InChIKey
KCEIVWKDBLAQKL-UHFFFAOYSA-NInChI
InChI=1S/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)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
9 names
- Benzenesulfonic acid, 2,5-dichloro-4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-
- Benzenesulfonic acid, 2,5-dichloro-4-(3-methyl-5-oxo-2-pyrazolin-1-yl)-
- 2,5-Dichloro-4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulfonic acid
- 2,5-Dichloro-4-(3-methyl-5-oxo-2-pyrazolin-1-yl)benzenesulfonic acid
- 1-(2′,5′-Dichloro)phenyl-3-methyl-5-pyrazolone-4′-sulfonic acid
- 1-(2,5-Dichloro-4-sulfophenyl)-3-methyl-5-pyrazolone
- p-(3-Methyl-5-oxo-2-pyrazolin-1-yl)-2,5-dichlorbenzenesulfonic acid
- NSC 50666
- 2,5-Dichloro-4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid
Work with 1-(2′,5′-Dichloro-4′-sulfophenyl)-3-methyl-5-pyrazolone
Similar compounds
1-(2′-Chloro-5′-sulfophenyl)-3-methyl-5-pyrazolone88-76-671 % similar
1-(3′-Sulfophenyl)-3-methyl-5-pyrazolone119-17-558 % similar
1-(2-Chlorophenyl)-3-methyl-5-pyrazolone14580-22-457 % similar
4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzenesulphonic acid89-36-157 % similar
6-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-1,3-naphthalenedisulfonic acid7277-87-454 % similar
3-Methyl-1-(3'-chlorophenyl)-2-pyrazolin-5-one90-31-348 % similar
1-(4-Chlorophenyl)-3-methyl-5-pyrazolone13024-90-345 % similar
M-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-YL)benzenesulfonamide89-29-245 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.