Basic information
- CAS
3351-05-1- Standard SMILES
O=S(=O)([O-])c1cccc(N=Nc2ccc(N=Nc3ccc(Nc4ccccc4)c4c(S(=O)(=O)[O-])cccc34)c3ccccc23)c1.[Na+].[Na+]- InChIKey
XPRMZBUQQMPKCR-UHFFFAOYSA-L- Molecular formula
- C32H21N5Na2O6S2
- Average molar mass
- 681.7 g/mol
- Monoisotopic mass
- 681.07286432
Names & identifiers
- Preferred name
- Acid Blue 113
- IUPAC
- disodium;8-anilino-5-[[4-[(3-sulfonatophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1-sulfonate
- English name
- Acid blue 113
- Molecular formula
- C32H24N5NaO6S2
- Molecular weight
- 661.68
Names & synonyms
ACID BLUE 113Acid Fast Blue 5RSulfon Blue 5RCirene Blue 5RAFenazo Blue S5RCloth Blue 5RErionyl Blue S5RFast Blue 5RSulfonine Blue 5RAlphanol Blue 5RNCloth Fast Blue RKayanol Cyanine 5R
Show more names
CI 26360CoomassieZRNAcidCyanine5RErionyl Navy RNavy Blue 5RC.I.Acidblue113Tracidcyanine5RConacid Blue AACCovalene Navy 2R
Sulphoncin Blue 5RSulphonol Navy 5RXCloth Fast Blue RNJava Fast Blue 5RErio Fast Blue S5RAcid Leather Blue RNBenzyl Fast Blue 5RCloth Fast Blue S5R
Database identifiers
- CAS
3351-05-1- PubChem CID
- 18776
- DTXSID
DTXSID7044920- UNII
- 6BJW83X6LV
- EC Number
- 222-111-5
- Nikkaji
- J36.915B
Properties
Computed structural properties
- Topological polar surface area
- 193 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 6
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,230
Physicochemical properties
- Density
- 0.9 · 0.9[at 20℃]
- vapor pressure
- 0 Pa · 0Pa at 25℃
- storage temp.
- room temp
- solubility
- DMSO, Water (Slightly)
- form
- Solid
- Colour Index
- 26360 · 26360
- color
- Very Dark Blue to Black
- Water Solubility
- 100 g/L · 100g/L at 20℃
- λmax
- 566 nm · 566 nm
- ε(extinction coefficient)
- 18000 at · ≥18000 at 563-569nm in H2O at 0.02g/L
- Stability
- Hygroscopic, Light Sensitive
- Major Application
- diagnostic assay manufacturinghematologyhistology
- InChIKey
- XPRMZBUQQMPKCR-XGQONITOSA-L
- SMILES
- [Na+].[Na+].[O-]S(=O)(=O)c1cccc(c1)\N=N\c2ccc(\N=N\c3ccc(Nc4ccccc4)c5c(cccc35)S([O-])(=O)=O)c6ccccc26
- LogP
- -1 at · -1 at 20℃
- CAS DataBase Reference
- 3351 · 3351-05-1
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 6.1% (17 of 280) of reports.
Warning
H317 (81.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 280 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 1-Naphthalenesulfonic acid, 8-(phenylamino)-5-[[4-[(3-sulfophenyl)azo]-1-naphthalenyl]azo]-, disodium salt
REACH registered substance: Sodium 8-phenylamino-5-(4-(3-sulphonatophenylazo)-1-naphthylazo)naphthalenesulphonate (EC: 222-111-5)
1-Naphthalenesulfonic acid, 8-(phenylamino)-5-4-(3-sulfophenyl)azo-1-naphthalenylazo-, disodium salt: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Sens. 1 (81.4%)
Safety data
- wgk
- 1
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H411-H319-H317-H412
- REACH Registrations
- Active
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P273-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Naphthalenesulfonic acid, 8-(phenylamino)-5-[2-[4-[2-(3-sulfophenyl)diazenyl]-1-naphthalenyl]diazenyl]-, sodium salt (1:2): ACTIVE
Applications
UsesAcid Blue 113 is a diazo dye used in the textile industry. Being difficult to remove from wastewater, Acid Blue 113 is considered a water pollutant.
General DescriptionAcid Blue 113 is a diazo dye widely used in the textile industry and tannery. The dye has been used in adsorption and degradation studies to decolorize and mineralize the toxic intermediates like aromatic amines produced in the textile effluent.
Preparation methods
Preparation3-Aminobenzenesulfonic acid diazo, and Naphthalen-1-amine coupling, its product to diazo, and 8-(Phenylamino)naphthalen-1-ol coupling.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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