2,2'-(1,2-Ethenediyl)bis(5-((4-(bis(2-hydroxyethyl)amino)-6-(phenylamino)-1,3,5-triazin-2-yl)amino)benzenesulfonic acid
Basic information
- CAS
4404-43-7- Standard SMILES
O=S(=O)(O)c1cc(Nc2nc(Nc3ccccc3)nc(N(CCO)CCO)n2)ccc1C=Cc1ccc(Nc2nc(Nc3ccccc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)O- InChIKey
CNGYZEMWVAWWOB-UHFFFAOYSA-N- Molecular formula
- C40H44N12O10S2
- Average molar mass
- 917 g/mol
- Monoisotopic mass
- 916.27447799
Names & identifiers
- Preferred name
- 2,2'-(1,2-Ethenediyl)bis(5-((4-(bis(2-hydroxyethyl)amino)-6-(phenylamino)-1,3,5-triazin-2-yl)amino)benzenesulfonic acid
- IUPAC
- 5-[[4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
- English name
- Fluorescent brightener 28
- Molecular formula
- C40H44N12O10S2
- Molecular weight
- 916.98
Names & synonyms
C.I. FLUORESCENT BRIGHTENING AGENT 28DTXSID0029264Calcofluor White M2RCI FLUORESCENT BRIGHTENING AGENT 28RefChem:440098DTXCID308098862,2'-(1,2-Ethenediyl)bis(5-((4-(bis(2-hydroxyethyl)amino)-6-(phenylamino)-1,3,5-triazin-2-yl)amino)benzenesulfonic acid4,4'-Bis((4-(bis(2-hydroxyethyl)amino)-6-anilino-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonic acid4404-43-77S9P0Y4313Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-(bis(2-hydroxyethyl)amino)-6-(phenylamino)-1,3,5-triazin-2-yl)amino)-Calcofluor M2R
Show more names
Optical Brightener ER-IOptiblanc NLV56CI 40622TINOPAL LPWTINOPAL UNPA-GXCALCOFLUOR WHITE STFluoresentbrightenerOptical BRIGHTENER CXT
4,4'-bis[4-anilino-6-bis(2-hydroxyeth-yl)amino-S-triazin-2-ylamino]2,2'-stilbene disulphonic acidSCHEMBL790333orb3133119SCHEMBL29392658EAA404432,2'-(Ethene-1,2-diyl)bis[5-({4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)benzene-1-sulfonic acid]4,4\'-bis({4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)stilbene-2,2\'-disulfonic acid
Database identifiers
- CAS
4404-43-7- PubChem CID
- 43031
- DTXSID
DTXSID0029264- EC Number
- 224-548-7
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 338 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 22
- Rotatable bonds
- 22
- Heavy atoms
- 64
- Formal charge
- 0
- Complexity
- 1,490
Experimental & physicochemical properties
Collision Cross Section307.5 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID9044669]
Physicochemical properties
- Melting point
- 290 °C · 290°C
- Boiling point
- 1311 ℃[at · 1311℃[at 101 325 Pa]
- Density
- 1.598 · 1.598±0.06 g/cm3(Predicted)
- vapor pressure
- 0 Pa · 0Pa at 25℃
- storage temp.
- Store at RT.
- solubility
- DMSO (Slightly, Sonicated), Methanol (Slightly, Heated, Sonicated)
- pka
- -1.28 · -1.28±0.50(Predicted)
- form
- Solid
- color
- Light Yellow to Yellow
- Water Solubility
- 80 g/L · 80g/L at 25℃
- Stability
- Stable under recommended storage conditions., Stable Under Recommended Storage C
- LogP
- -3.5 · -3.5
- FDA UNII
- 7 S9P0Y4313 · 7S9P0Y4313
- EPA Substance Registry System
- 28 · C.I. Fluorescent Brightening Agent 28 (4404-43-7)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 305 · P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36
- Safety Statements
- 26 · 26
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- REACH Registrations
- Active
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 73.9% (113 of 153) of all reports.
Warning
H319 (25.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 153 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-
REACH registered substance: 4,4'-bis[4-[bis(2-hydroxyethyl)amino]-6-anilino-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonic acid (EC: 224-548-7)
Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-: 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.
EPA Safer ChemicalChemical: C.I. Fluorescent Brightening Agent 28
Hazard Classes and CategoriesEye Irrit. 2 (25.5%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Hazard statements
- H319
- REACH Registrations
- Active
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Substances used to allow enhanced visualization of tissues.
Chemicals that emit light after excitation by light. The wave length of the emitted light is usually longer than that of the incident light. Fluorochromes are substances that cause fluorescence in other substances, i.e., dyes used to mark or label other compounds with fluorescent tags.
Uses & manufacturing
Use Classification
EPA Safer Chemical Functional Use Classes -> Colorants
Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern
General Manufacturing InformationBenzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-: ACTIVE
Applications
UsesFluorescent Brightener 28 (Technical Grade) is used for the staining of fungi and as a viability stain. Dyes and metabolites.
Upstream & downstream products
Upstream raw materials
Downstream products
Additional notes
DefinitionChEBI: An organosulfonic acid comprising stilbene having 4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino groups at the 4 and 4'-positions and sulfo groups at the 2- and 2'-positions.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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