Basic information
- CAS
6054-86-0- Standard SMILES
CC1=NN(c2ccccc2)C(=O)C1N=Nc1cc([N+](=O)[O-])cc(S(=O)(=O)[O-])c1O.[Na+]- InChIKey
YAJDUQNWUWXIBO-UHFFFAOYSA-M- Molecular formula
- C16H12N5NaO7S
- Average molar mass
- 441.4 g/mol
- Monoisotopic mass
- 441.03551319
Overview
See other relationships...
Names & identifiers
- Preferred name
- Mordant Orange 29
- IUPAC
- sodium 2-hydroxy-3-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]-5-nitrobenzenesulfonate
- English name
- sodium 3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-2-hydroxy-5-nitrobenzenesulphonate
- Molecular formula
- C16H13N5O7S.Na
- Molecular weight
- 442.36
Names & synonyms
Mordant Orange 297S5S9Z912GSODIUM 3-[(4,5-DIHYDRO-3-METHYL-5-OXO-1-PHENYL-1H-PYRAZOL-4-YL)AZO]-2-HYDROXY-5-NITROBENZENESULPHONATEBenzenesulfonic acid, 3-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-2-hydroxy-5-nitro-, monosodium saltBenzenesulfonic acid, 3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-2-hydroxy-5-nitro-, monosodium saltSodium 3-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-2-hydroxy-5-nitrobenzenesulphonateRefChem:819391CI 187446054-86-0C.I. Mordant Orange 29sodium;2-hydroxy-3-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]-5-nitrobenzenesulfonateSodium 3-(4,5-Dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo-2-hydroxy-5-nitrobenzenesulphonate
Show more names
C.I.18744Chrome Orange FLC.I.Mordant Orange 29YAJDUQNWUWXIBO-ZAGWXBKKSA-MC.I.Mordant Orange 29:C.I.187444-(2-Hydroxy-5-nitro-3-sodiosulfophenylazo)-3-methyl-1-phenyl-2-pyrazolin-5-one3-[(4,5-Dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-2-hydroxy-5-nitrobenzenesulfonic acid sodium salt3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1h-pyrazol-4-yl)azo]-2-hydroxy-5-nitro-benzenesulfonic acid monosodium salt
EINECS 227-973-6UNII-7S5S9Z912Gorb2566706DTXSID10884217NS00081241T85976Sodium 2-hydroxy-3-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]-5-nitrobenzene-1-sulfonate
Database identifiers
- CAS
6054-86-0- PubChem CID
- 111144
- DTXSID
DTXSID10884217- EC Number
- 227-973-6
Properties
Computed structural properties
- Topological polar surface area
- 189 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 799
Physicochemical properties
- FDA UNII
- 7 S5S9Z912G · 7S5S9Z912G
- EPA Substance Registry System
- 3 · Benzenesulfonic acid, 3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-2-hydroxy-5-nitro-, monosodium salt (6054-86-0)
- TSCA
- TSCA listed
- REACH Registrations
- Active
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 100% (2 of 2) of all reports.
Not Classified
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Benzenesulfonic acid, 3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-2-hydroxy-5-nitro-, monosodium salt
REACH registered substance: Sodium 3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-2-hydroxy-5-nitrobenzenesulphonate (EC: 227-973-6)
Other Safety InformationIMAP assessments - Benzenesulfonic acid, 3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-2-hydroxy-5-nitro-, monosodium salt: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- REACH Registrations
- Active
Chemistry & industry
Applications
UsesC.I. Mordant Orange 29 is a multifunctional dye. Dyes are important tools in biological experiments. They can help researchers observe and analyze cell structures, track biomolecules, evaluate cell functions, distinguish cell types, detect biomolecules, study tissue pathology and monitor microorganisms. Their applications range from basic scientific research to clinical A wide range of diagnostics. Dyes are also widely used in traditional fields such as textile dyeing, as well as in emerging fields such as functional textile processing, food pigments and dye-sensitized solar cells.
Preparation methods
Preparation3-Amino-2-hydroxy-5-nitrobenzenesulfonic acid diazotization, and 3-Methyl-1-phenyl-1H-pyrazol-5(4H)-one coupling.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers2 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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