1,5-Naphthalenedisulfonic acid, 2-[2-[6-[(4,6-dichloro-1,3,5-triazin-2-yl)methylamino]-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]-, sodium salt (1:3)
Completing data — refresh the page later to see the latest
Basic information
- CAS
12225-82-0- Standard SMILES
CN(c1ccc2c(O)c(N=Nc3ccc4c(S(=O)(=O)[O-])cccc4c3S(=O)(=O)[O-])c(S(=O)(=O)[O-])cc2c1)c1nc(Cl)nc(Cl)n1.[Na+].[Na+].[Na+]- InChIKey
ARXWHYHTMGGNST-UHFFFAOYSA-K- Molecular formula
- C24H13Cl2N6Na3O10S3
- Average molar mass
- 781.5 g/mol
- Monoisotopic mass
- 779.8925424
Names & identifiers
- Preferred name
- 1,5-Naphthalenedisulfonic acid, 2-[2-[6-[(4,6-dichloro-1,3,5-triazin-2-yl)methylamino]-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]-, sodium salt (1:3)
- IUPAC
- trisodium;2-[[6-[(4,6-dichloro-1,3,5-triazin-2-yl)-methylamino]-1-hydroxy-3-sulfonatonaphthalen-2-yl]diazenyl]naphthalene-1,5-disulfonate
- English name
- trisodium 2-[[6-[(4,6-dichloro-1,3,5-triazin-2-yl)methylamino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]naphthalene-1,5-disulphonate
- Molecular formula
- C24H17Cl2N6NaO10S3
- Molecular weight
- 739.5
Names & synonyms
Reactive Orange 412225-82-01,5-Naphthalenedisulfonic acid, 2-((6-((4,6-dichloro-1,3,5-triazin-2-yl)methylamino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-, trisodium salt1,5-Naphthalenedisulfonic acid, 2-(2-(6-((4,6-dichloro-1,3,5-triazin-2-yl)methylamino)-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-, sodium salt (1:3)1,5-Naphthalenedisulfonic acid, 2-[[6-[(4,6-dichloro-1,3,5-triazin-2-yl)methylamino]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-, trisodium salt1,5-Naphthalenedisulfonic acid, 2-[2-[6-[(4,6-dichloro-1,3,5-triazin-2-yl)methylamino]-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]-, sodium salt (1:3)Trisodium 2-((6-((4,6-dichloro-1,3,5-triazin-2-yl)methylamino)-1-hydroxy-3-sulphonato-2-naphthyl)azo)naphthalene-1,5-disulphonateTRISODIUM 2-[[6-[(4,6-DICHLORO-1,3,5-TRIAZIN-2-YL)METHYLAMINO]-1-HYDROXY-3-SULPHONATO-2-NAPHTHYL]AZO]NAPHTHALENE-1,5-DISULPHONATERefChem:4173531,5-Naphthalenedisulfonic acid, 2-6-(4,6-dichloro-1,3,5-triazin-2-yl)methylamino-1-hydroxy-3-sulfo-2-naphthalenylazo-, trisodium salt
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 284 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 4
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,380
Physicochemical properties
- CAS DataBase Reference
- 70616 · 70616-90-9
- EPA Substance Registry System
- 4 · C.I. Reactive Orange 4 (70616-90-9)
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Danger
- Hazard statements
- 334 · H334-H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P261-P285-P304+P341-P342+P311-P501
- 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 50% (5 of 10) of reports.
Danger
H317 (40%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P233, P260, P261, P271, P272, P273, P280, P284, P302+P352, P304+P340, P321, P333+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 10 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 1,5-Naphthalenedisulfonic acid, 2-[[6-[(4,6-dichloro-1,3,5-triazin-2-yl)methylamino]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-, trisodium salt
1,5-Naphthalenedisulfonic acid, 2-6-(4,6-dichloro-1,3,5-triazin-2-yl)methylamino-1-hydroxy-3-sulfo-2-naphthalenylazo-, trisodium salt: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - 1,5-Naphthalenedisulfonic acid, 2-[[6-[(4,6-dichloro-1,3,5-triazin-2-yl)methylamino]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-, trisodium salt: Human health tier I assessment
Hazard Classes and CategoriesSkin Sens. 1 (40%)
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS08
- Hazard statements
- H334-H317
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,5-Naphthalenedisulfonic acid, 2-[2-[6-[(4,6-dichloro-1,3,5-triazin-2-yl)methylamino]-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]-, sodium salt (1:3): ACTIVE
Applications
UsesReactive orange 4 is common textile dyes that can be adsorbed onto single-walled carbon nanotubes (SWCNTs) through electrostatic interactions, allowing the separation of residual dyes.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
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Compound notes
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