Disodium 6-acetamido-4-hydroxy-3-[[3-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2-sulphonate
Basic information
- CAS
12225-83-1- Standard SMILES
CC(=O)Nc1ccc2c(S(=O)(=O)[O-])c(N=Nc3cccc(S(=O)(=O)CCOS(=O)(=O)[O-])c3)cc(O)c2c1.[Na+].[Na+]- InChIKey
UBBKZSRAPNTAOH-UHFFFAOYSA-L- Molecular formula
- C20H17N3Na2O11S3
- Average molar mass
- 617.5 g/mol
- Monoisotopic mass
- 616.98206045
Names & identifiers
- Preferred name
- Disodium 6-acetamido-4-hydroxy-3-[[3-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2-sulphonate
- IUPAC
- disodium;6-acetamido-4-hydroxy-2-[[3-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-1-sulfonate
- English name
- REACTIVE ORANGE 16
- Molecular formula
- C20H20N3NaO11S3
- Molecular weight
- 597.56
Names & synonyms
Disodium 6-acetamido-4-hydroxy-3-((3-((2-(sulphonatooxy)ethyl)sulphonyl)phenyl)azo)naphthalene-2-sulphonate2-Naphthalenesulfonic acid, 6-(acetylamino)-4-hydroxy-3-((3-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-, disodium salt2-Naphthalenesulfonic acid, 6-(acetylamino)-4-hydroxy-3-[[3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-, disodium saltDisodium 6-acetamido-4-hydroxy-3-[[3-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2-sulphonateRefChem:589425235-431-5EINECS 235-431-5SZIIXXMFBIFZOD-UHFFFAOYSA-LDisodium;6-acetamido-4-hydroxy-2-[[3-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-1-sulfonateDisodium 6-acetamido-4-hydroxy-2-({3-[2-(sulfonatooxy)ethanesulfonyl]phenyl}diazenyl)naphthalene-1-sulfonateC.I.17756C.I. Reactive Orange 7
Show more names
CLTZJLLPARNKJU-VPMNAVQSSA-LReactive orange 7 (C.I. 17756)Reactive Brilliant Orange KN-5RC.I.Reactive Orange 7:C.I.17756REACTIVE ORANGE 16 ISO 9001：2015 REACH
Properties
Computed structural properties
- Topological polar surface area
- 257 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 7
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,130
Physicochemical properties
- Melting point
- 300 °C · >300 °C(lit.)
- storage temp.
- room temp
- Colour Index
- 17757 · 17757
- form
- powder
- λmax
- 388 nm494 · 388 nm494 nm (2nd)
- Major Application
- diagnostic assay manufacturinghematologyhistology
- InChIKey
- DHHGSXPASZBLGC-VPMNAVQSSA-L
- SMILES
- [Na+].[Na+].CC(=O)Nc1ccc2cc(c(\N=N\c3ccc(cc3)S(=O)(=O)CCOS([O-])(=O)=O)c(O)c2c1)S([O-])(=O)=O
- EPA Substance Registry System
- 2 · 2-Naphthalenesulfonic acid, 6-(acetylamino)-4-hydroxy-3-[[3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-, disodium salt (12225-83-1)
- UNSPSC Code
- 12171500 · 12171500
- NACRES
- 47 · NA.47
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H317-H319-H335
- Precautionary statements
- 280 · P280-P302+P352-P305+P351+P338
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 2.8% (2 of 71) of reports.
Danger
H315 (95.8%): Causes skin irritation [Warning Skin corrosion/irritation]
P233, P260, P261, P264, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 71 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: 2-Naphthalenesulfonic acid, 6-(acetylamino)-4-hydroxy-3-[[3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-, disodium salt
Other Safety InformationIMAP assessments - 2-Naphthalenesulfonic acid, 6-(acetylamino)-4-hydroxy-3-[[3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-, disodium salt: Human health tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (95.8%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- risk_code
- 36/37/38-42/43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-37/39
Chemistry & industry
Applications
UsesReactive Orange 7 is a sulfonated azo dye that can undergo microbial decolorization by the yet unidentified bacterium, KMK48, under aerobic conditions. Dyes and metabolites.
Preparation methods
Preparation2-(3-Aminophenylsulfonyl)ethyl hydrogen sulfate diazo, and 6-Acetamido-4-hydroxynaphthalene-2-sulfonic acidcoupling.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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