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2,7-Naphthalenedisulfonic acid, 5-((4-chloro-6-(ethylphenylamino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-(2-(2-sulfophenyl)diazenyl)-, sodium salt (1:3)

HCID 166333
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
72829-25-5
Standard SMILES
CCN(c1ccccc1)c1nc(Cl)nc(Nc2cc(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])c(N=Nc4ccccc4S(=O)(=O)[O-])c(O)c23)n1.[Na+].[Na+].[Na+]
InChIKey
QJCOOZSSWORRPC-UHFFFAOYSA-K
Molecular formula
C27H19ClN7Na3O10S3
Average molar mass
802.1 g/mol
Monoisotopic mass
800.9737139

Names & identifiers

Preferred name
2,7-Naphthalenedisulfonic acid, 5-((4-chloro-6-(ethylphenylamino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-(2-(2-sulfophenyl)diazenyl)-, sodium salt (1:3)
IUPAC
trisodium;5-[[4-chloro-6-(N-ethylanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate
English name
trisodium 5-[[4-chloro-6-(ethylphenylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulphonatophenyl)azo]naphthalene-2,7-disulphonate
Molecular formula
C27H19ClN7Na3O10S3
Molecular weight
802.09797

Names & synonyms

EINECS 276-911-42,7-Naphthalenedisulfonic acid, 5-((4-chloro-6-(ethylphenylamino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((2-sulfophenyl)azo)-, trisodium salt2,7-Naphthalenedisulfonic acid, 5-((4-chloro-6-(ethylphenylamino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-(2-(2-sulfophenyl)diazenyl)-, sodium salt (1:3)2,7-Naphthalenedisulfonic acid, 5-((4-chloro-6-(ethylphenylamino)-s-triazin-2-yl)amino)-4-hydroxy-3-((2-sulfophenyl)azo)-, trisodium salt2,7-Naphthalenedisulfonic acid, 5-[[4-chloro-6-(ethylphenylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulfophenyl)azo]-, trisodium saltTrisodium 5-((4-chloro-6-(ethylphenylamino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((2-sulphonatophenyl)azo)naphthalene-2,7-disulphonateTrisodium 5-[[4-chloro-6-(ethylphenylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulphonatophenyl)azo]naphthalene-2,7-disulphonate2,7-Naphthalenedisulfonic acid, 5-[[4-chloro-6-(ethylphenylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[2-(2-sulfophenyl)diazenyl]-, sodium salt (1:3)

Properties

Computed structural propertiesFilling in

Topological polar surface area
296 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
17
Rotatable bonds
7
Heavy atoms
51
Formal charge
0
Complexity
1,410

Physicochemical properties

Boiling point
330 ℃[at · 330℃[at 101 325 Pa]
Density
1.666 · 1.666[at 20℃]
vapor pressure
0 Pa · 0Pa at 20℃
Water Solubility
434 g/L · 434g/L at 20℃
LogP
-3.52 at · -3.52 at 20℃
EPA Substance Registry System
2 · 2,7-Naphthalenedisulfonic acid, 5-[[4-chloro-6-(ethylphenylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulfophenyl)azo]-, trisodium salt (72829-25-5)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
317 · H317
Precautionary statements
261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
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.

Safety data

tsca
TSCA listed
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H317
REACH Registrations
Active
Precautionary statements
P261-P272-P280-P302+P352-P333+P313-P321-P363-P501

Chemistry & industry

Applications

UsesReactive red 24:1 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

Aniline-2-sulfonic acidN-Ethylaniline8-Amino-1-naphthol-3,6-disulfonic acid monosodium salt monohydrateCyanuric chloride

Suppliers1 total

XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
RefChem:446336
2,7-Naphthalenedisulfonic acid, 5-4-chloro-6-(ethylphenylamino)-1,3,5-triazin-2-ylamino-4-hydroxy-3-(2-sulfophenyl)azo-, trisodium salt
276-911-4
Reactive Red 24:1
Show more names
Reactive Red 187QJCOOZSSWORRPC-RCWDREBLSA-KC.I.Reactive Red 187:C.I.18208:1Reactive red 24:1 (C.I. 18208:1)C.I.Reactive Red 24:1:C.I.18208:15-[4-Chloro-6-(N-ethylanilino)-1,3,5-triazin-2-ylamino]-4-hydroxy-3-(2-sodiosulfophenylazo)-2,7-naphthalenedisulfonic acid disodium salt2,7-Naphthalenedisulfonic acid, 5-[[4-chloro-6-(ethylphenylamino)-s-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulfophenyl)azo]-, trisodium salttrisodium,(3Z)-5-[[4-chloro-6-(N-ethylanilino)-1,3,5-triazin-2-yl]amino]-4-oxo-3-[(2-sulfonatophenyl)hydrazinylidene]naphthalene-2,7-disulfonate
72829-25-5Trisodium;5-[[4-chloro-6-(N-ethylanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonateC.I. Reactive Red 24:1orb2565373SCHEMBL19740856DTXSID40890124LTDWIWZCTPXWKI-BGSWCMMMSA-KNS00061489

Database identifiers

CAS
72829-25-5
PubChem CID
166333
DTXSID
DTXSID40890124
EC Number
276-911-4