Basic information
- CAS
73507-64-9- Standard SMILES
CC1=NN(c2ccccc2)C(=O)C1=NN=C1C=C(S(=O)(=O)[O-])C=C(N([O-])[O-])C1=O.Cc1nn(-c2ccccc2)c([O-])c1N=Nc1cc(S(=O)(=O)[O-])cc([N+](=O)[O-])c1[O-].[Cr+3].[H+].[H+].[Na+]- InChIKey
NCQIJCAMPYGCRD-GLCFPVLVSA-L- Molecular formula
- C32H22CrN10NaO14S2
- Average molar mass
- 909.7 g/mol
- Monoisotopic mass
- 909.006112
Overview
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Names & identifiers
- Preferred name
- Chromate(3-), bis(3-((4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)azo-kappaN1)-4-(hydroxy-kappaO)-5-nitrobenzenesulfonato(3-))-, sodium dihydrogen
- IUPAC
- sodium;chromium(3+);5-(dioxidoamino)-3-[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)hydrazinylidene]-4-oxocyclohexa-1,5-diene-1-sulfonate;hydron;3-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]-5-nitro-4-oxidobenzenesulfonate
- English name
- Chromate(3-), bis3-4,5-dihydro-3-methyl-5-(oxo-.kappa.O)-1-phenyl-1H-pyrazol-4-ylazo-.kappa.N1-4-(hydroxy-.kappa.O)-5-nitrobenzenesulfonato(3-)-, sodium dihydrogen
- Molecular formula
- C32H22CrN10NaO14S2
- Molecular weight
- 909.69155
Names & synonyms
73507-64-9Chromate(3-), bis(3-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-4-hydroxy-5-nitrobenzenesulfonato(3-))-, sodium dihydrogenChromate(3-), bis(3-((4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)azo-kappaN1)-4-(hydroxy-kappaO)-5-nitrobenzenesulfonato(3-))-, sodium dihydrogenDTXSID70904925Chromate(3-), bis(3-(2-(4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)diazenyl-kappaN1)-4-(hydroxy-kappaO)-5-nitrobenzenesulfonato(3-))-, sodium hydrogen (1:1:2)Chromate(3-), bis[3-[[4,5-dihydro-3-methyl-5-(oxo-.kappa.O)-1-phenyl-1H-pyrazol-4-yl]azo-.kappa.N1]-4-(hydroxy-.kappa.O)-5-nitrobenzenesulfonato(3-)]-, sodium dihydrogenChromium(3+) hydrogen sodium 3-[(E)-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-id-4-yl)diazenyl]-5-nitro-4-oxidobenzene-1-sulfonate (1/2/1/2)Chromate(3-),bis[3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-4-hydroxy-5-nitrobenzenesulfonato(3-)]-,sodium dihydrogen
Properties
Computed structural properties
- Topological polar surface area
- 389 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 21
- Rotatable bonds
- 5
- Heavy atoms
- 60
- Formal charge
- 0
- Complexity
- 705
Physicochemical properties
- EPA Substance Registry System
- 3 · Chromate(3-), bis[3-[[4,5-dihydro-3-methyl-5-(oxo-.kappa.O)-1-phenyl-1H-pyrazol-4-yl]azo-.kappa.N1]-4-(hydroxy-.kappa.O)-5-nitrobenzenesulfonato(3-)]-, sodium dihydrogen (73507-64-9)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H412
- Precautionary statements
- 273 · P273-P501-P264-P280-P305+P351+P338-P337+P313P
- TSCA
- TSCA listed
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
This chemical does not meet GHS hazard criteria for 83.3% (5 of 6) of all reports.
Warning
H319 (16.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (16.7%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H412
- Precautionary statements
- P273-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationChromate(3-), 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)-5-nitrobenzenesulfonato(3-)]-, sodium hydrogen (1:1:2): ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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