Basic information
- CAS
16823-51-1- Standard SMILES
Nc1c(S(=O)(=O)O)cc(Nc2ccc(S(=O)(=O)O)c(Nc3nc(Cl)nc(Nc4cccc(S(=O)(=O)O)c4)n3)c2)c2c1C(=O)c1ccccc1C2=O- InChIKey
NSDSIQGBHACTLY-UHFFFAOYSA-N- Molecular formula
- C29H20ClN7O11S3
- Average molar mass
- 774.2 g/mol
- Monoisotopic mass
- 773.0071457
Overview
Reactive Blue 5 is anthraquinone carrying amino, sulfo and [3-({4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl}amino)-4-sulfophenyl]amino substituents at positions 1, 2 and 4 respectively. It has a role as a dye. It is a conjugate acid of a Reactive Blue 5(3-).
Names & identifiers
- Preferred name
- 1-Amino-4-((3-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-4-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid
- IUPAC
- 1-amino-4-[3-[[4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-4-sulfoanilino]-9,10-dioxoanthracene-2-sulfonic acid
- English name
- REACTIVE BLUE 5
- Molecular formula
- C29H20ClN7O11S3
- Molecular weight
- 774.16
Names & synonyms
Reactive Blue 516823-51-1Procion brilliant blue hgrDTXSID5066118CHEBI:613112-Anthracenesulfonic acid, 1-amino-4-((3-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-4-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-2-Anthracenesulfonic acid, 1-amino-4-[[3-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-4-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-1-Amino-4-{[3-({4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl}amino)-4-sulfophenyl]amino}-9,10-dihydro-9,10-dioxoanthracene-2-sulfonic acid1-Amino-4-((3-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-4-sulfophenyl)amino)-9,10-dihydro-9,10-dioxoanthracene-2-sulfonic acidRefChem:878958procion brillant blue H5GSprocion brilliant blue HGRS
Show more names
RB-5Brill. Blue K-GRReactive Blue BRC.I.Reactiveblue5Everzol Blue P-GRCibacron Blue P-BRKayacion Blue P-GR
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 323 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 9
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,640
Experimental & physicochemical properties
Chemical ClassesDyes -> Anthraquinone Dyes
Physical DescriptionSolid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Density
- 1.845 · 1.845±0.06 g/cm3(Predicted)
- pka
- -1.22 · -1.22±0.20(Predicted)
- EPA Substance Registry System
- 2 · 2-Anthracenesulfonic acid, 1-amino-4-[[3-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-4-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo- (16823-51-1)
- WGK Germany
- 3 · 3
- 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 ClassificationNot Classified
Hazard information
Regulatory Information
Chemical: 2-Anthracenesulfonic acid, 1-amino-4-[[3-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-4-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-
2-Anthracenesulfonic acid, 1-amino-4-3-4-chloro-6-(3-sulfophenyl)amino-1,3,5-triazin-2-ylamino-4-sulfophenylamino-9,10-dihydro-9,10-dioxo-: 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 InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS] See C.I. Reactive Blue 19.
Hazard Classes and CategoriesNot Classified
Safety data
- wgk
- 3
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Anthracenesulfonic acid, 1-amino-4-[[3-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-4-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-: INACTIVE
Applications
UsesReactive blue 5 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
Suppliers16 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
超彩实业有限公司0574-83851061 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
上海新平精细化学品有限公司18221735425 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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