Calcium 4,5-dichloro-2-[[4,5-dihydro-3-methyl-5-oxo-1-(3-sulphonatophenyl)-1H-pyrazol-4-yl]azo]benzenesulphonate
Basic information
- CAS
65212-77-3- Standard SMILES
CC1=NN(c2cccc(S(=O)(=O)[O-])c2)C(=O)C1N=Nc1cc(Cl)c(Cl)cc1S(=O)(=O)[O-].[Ca+2]- InChIKey
KJAXOZTWNHRZQG-UHFFFAOYSA-L- Molecular formula
- C16H10CaCl2N4O7S2
- Average molar mass
- 545.4 g/mol
- Monoisotopic mass
- 543.8993873
Overview
See other relationships...
Names & identifiers
- Preferred name
- Calcium 4,5-dichloro-2-[[4,5-dihydro-3-methyl-5-oxo-1-(3-sulphonatophenyl)-1H-pyrazol-4-yl]azo]benzenesulphonate
- IUPAC
- calcium 4,5-dichloro-2-[[3-methyl-5-oxo-1-(3-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]benzenesulfonate
- English name
- Pigment Yellow 183
- Molecular formula
- C16H12Cl2N4O7S2.Ca
- Molecular weight
- 547.41
Names & synonyms
65212-77-3EINECS 265-634-4UNII-VVH58816TSVVH58816TSEC 265-634-4Calcium 4,5-dichloro-2-[[4,5-dihydro-3-methyl-5-oxo-1-(3-sulphonatophenyl)-1H-pyrazol-4-yl]azo]benzenesulphonatecalcium;4,5-dichloro-2-[[3-methyl-5-oxo-1-(3-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]benzenesulfonateCalcium 4,5-dichloro-2-((4,5-dihydro-3-methyl-5-oxo-1-(3-sulphonatophenyl)-1H-pyrazol-4-yl)azo)benzenesulphonate4,5-dichloro-2-4,5-dihydro-3-methyl-5-oxo-1-(3-sulphonatophenyl)-1H-pyrazol-4-ylazobenzenesulphonate (calcium salt)Benzenesulfonic acid, 4,5-dichloro-2-((4,5-dihydro-3-methyl-5-oxo-1-(3-sulfophenyl)-1H-pyrazol-4-yl)azo)-, calcium salt (1:1)Benzenesulfonic acid, 4,5-dichloro-2-(2-(4,5-dihydro-3-methyl-5-oxo-1-(3-sulfophenyl)-1H-pyrazol-4-yl)diazenyl)-, calcium salt (1:1)Benzenesulfonic acid, 4,5-dichloro-2-[2-[4,5-dihydro-3-methyl-5-oxo-1-(3-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]-, calcium salt (1:1)
Show more names
C.I. 18792Yellow K 2270Pigment Yellow 183
Properties
Computed structural properties
- Topological polar surface area
- 189 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 3
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 950
Experimental & physicochemical properties
Polymers
Plastics -> Polyolefin-I; PUR; Polyolefin-II; PVC (soft); ABS; PVC (rigid); PET; PMMA; PC; (E)PS
Plastics -> Pigments agents
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical DescriptionCBI; Dry Powder
Physicochemical properties
- Density
- 1.774 · 1.774[at 20℃]
- Water Solubility
- 79 mg/L · 79mg/L at 20℃
- Indirect Additives used in Food Contact Substances
- 4 · 4,5-DICHLORO-2-((5-HYDROXY-3-METHYL-1-(3-SULFOPHENYL)-1H-PYRAZOL-4-YL)AZO)BENZENESULFONIC ACID, CALCIUM SALT(1:1)
- FDA 21 CFR
- 178.3297 · 178.3297
- FDA UNII
- 58816 TS · VVH58816TS
- EPA Substance Registry System
- 183 · C.I. Pigment Yellow 183 (65212-77-3)
- Hazard statements
- 412 · H412
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 99.6% (272 of 273) of all reports.
Not Classified
Aggregated GHS information provided per 273 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Benzenesulfonic acid, 4,5-dichloro-2-[2-[4,5-dihydro-3-methyl-5-oxo-1-(3-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]-, calcium salt (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenesulfonic acid, 4,5-dichloro-2-[2-[4,5-dihydro-3-methyl-5-oxo-1-(3-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]-, calcium salt (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: Calcium 4,5-dichloro-2-[[4,5-dihydro-3-methyl-5-oxo-1-(3-sulphonatophenyl)-1H-pyrazol-4-yl]azo]benzenesulphonate (EC: 265-634-4)
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- Hazard statements
- H412
- REACH Registrations
- Active
- Precautionary statements
- P273-P501
Chemistry & industry
Uses & manufacturing
UsesPlastics -> Typical concentration range in plastic materials -> 2%
U.S. Production2023: <50,000 lb
Consumer UsesPigment
Industry UsesDye
Use Classification
Plastics -> Polymer Type -> Polyolefin-I; PUR; Polyolefin-II; PVC (soft); ABS; PVC (rigid); PET; PMMA; PC; (E)PS
Plastics -> Pigments agents
General Manufacturing Information
Printing and Related Support Activities
Benzenesulfonic acid, 4,5-dichloro-2-[2-[4,5-dihydro-3-methyl-5-oxo-1-(3-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]-, calcium salt (1:1): ACTIVE
Applications
UsesPigment Yellow 183 is a disazomethine dye with solid-state fluorescence.a biologically active chemical.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…