Chromate(1-), bis[3-[2-[4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl]diazenyl-kappaN1]-4-(hydroxy-kappaO)benzenesulfonamidato(2-)]-, lithium (1:1)

HCID 109486

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Basic information

CAS: 68039-65-6
Standard SMILES: Cc1nn(-c2ccccc2)c([O-])c1N=Nc1cc(S(N)(=O)=O)ccc1[O-].Cc1nn(-c2ccccc2)c([O-])c1N=Nc1cc(S(N)(=O)=O)ccc1[O-].[Cr+3].[Li+]
InChIKey: STMSDDRNQUWATN-UHFFFAOYSA-J
Molecular formula: C32H26CrLiN10O8S2
Average molar mass: 801.7 g/mol
Monoisotopic mass: 801.094158

Names & identifiers

Preferred name: Chromate(1-), bis[3-[2-[4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl]diazenyl-kappaN1]-4-(hydroxy-kappaO)benzenesulfonamidato(2-)]-, lithium (1:1)
IUPAC: lithium;chromium(3+);bis(3-methyl-4-[(2-oxido-5-sulfamoylphenyl)diazenyl]-1-phenylpyrazol-5-olate)

Names & synonyms

Lithium bis(3-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-4-hydroxybenzenesulphonamidato(2-))chromate(1-)DTXSID701340404Chromate(1-), bis(3-(2-(4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)diazenyl-kappaN1)-4-(hydroxy-kappaO)benzenesulfonamidato(2-))-, lithium (1:1)Chromate(1-), bis[3-[2-[4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl]diazenyl-kappaN1]-4-(hydroxy-kappaO)benzenesulfonamidato(2-)]-, lithium (1:1)Lithium bis[3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-4-hydroxybenzenesulphonamidato(2-)]chromate(1-)Chromate(1-), bis[3-[2-[4,5-dihydro-3-methyl-5-(oxo-.kappa.O)-1-phenyl-1H-pyrazol-4-yl]diazenyl-.kappa.N1]-4-(hydroxy-.kappa.O)benzenesulfonamidato(2-)]-, lithium (1:1)RefChem:576388DTXCID801769683268-272-568039-65-6EINECS 268-272-5Chromate(1-), bis(3-((4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)azo-kappaN1)-4-(hydroxy-kappaO)benzenesulfonamidato(2-))-, lithium

Show more names

Chromate(1-), bis[3-[[4,5-dihydro-3-methyl-5-(oxo-.kappa.O)-1-phenyl-1H-pyrazol-4-yl]azo-.kappa.N1]-4-(hydroxy-.kappa.O)benzenesulfonamidato(2-)]-, lithiumChromate(1-), bis{4-hydroxy-3-((3-methyl-5-oxo-1-phenyl-2-pyrazolin-4-yl)azo))benzenesulfonamidato(2-)}-, lithium

Database identifiers

CAS: 68039-65-6
PubChem CID: 109486
EC Number: 268-272-5

Properties

Computed structural properties

Topological polar surface area: 314 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 16
Rotatable bonds: 8
Heavy atoms: 54
Formal charge: 0
Complexity: 604

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Sens. 1 (100%)

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationChromate(1-), bis[3-[2-[4,5-dihydro-3-methyl-5-(oxo-.kappa.O)-1-phenyl-1H-pyrazol-4-yl]diazenyl-.kappa.N1]-4-(hydroxy-.kappa.O)benzenesulfonamidato(2-)]-, lithium (1:1): INACTIVE

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