Trisodium (2-((4,6-dichloro-1,3,5-triazin-2-yl)amino)-5-hydroxy-6-((2-hydroxy-5-sulphophenyl)azo)naphthalene-1,7-disulphonato(5-))cuprate(3-)
Basic information
- CAS
16038-15-6- Standard SMILES
O=S(=O)(O)c1ccc(O)c(N=Nc2c(S(=O)(=O)O)cc3c(S(=O)(=O)O)c(Nc4nc(Cl)nc(Cl)n4)ccc3c2O)c1.[Cu].[Na+].[Na+].[Na+]- InChIKey
RKOFCKSUNBYOHS-UHFFFAOYSA-N- Molecular formula
- C19H12Cl2CuN6Na3O11S3+3
- Average molar mass
- 800 g/mol
- Monoisotopic mass
- 797.809229
Overview
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Names & identifiers
- Preferred name
- Trisodium (2-((4,6-dichloro-1,3,5-triazin-2-yl)amino)-5-hydroxy-6-((2-hydroxy-5-sulphophenyl)azo)naphthalene-1,7-disulphonato(5-))cuprate(3-)
- IUPAC
- trisodium;copper;2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-5-hydroxy-6-[(2-hydroxy-5-sulfophenyl)diazenyl]naphthalene-1,7-disulfonic acid
Names & synonyms
EINECS 240-175-2Trisodium (2-((4,6-dichloro-1,3,5-triazin-2-yl)amino)-5-hydroxy-6-((2-hydroxy-5-sulphophenyl)azo)naphthalene-1,7-disulphonato(5-))cuprate(3-)Trisodium [2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-5-hydroxy-6-[(2-hydroxy-5-sulphophenyl)azo]naphthalene-1,7-disulphonato(5-)]cuprate(3-)RefChem:900439240-175-216038-15-6
Database identifiers
- CAS
16038-15-6- PubChem CID
- 136033763
- EC Number
- 240-175-2
Properties
Computed structural properties
- Topological polar surface area
- 304 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 2
- Heavy atoms
- 45
- Formal charge
- 3
- Complexity
- 1,290
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 66.7% (2 of 3) of all reports.
Warning
H317 (33.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory.
Related reactions
0 records
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Compound notes
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