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hydrogen (4-((4-(diethylamino)-o-tolyl)(4-(ethyl(3-sulphonatobenzyl)amino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)(ethyl)(3-sulphonatobenzyl)ammonium, sodium salt

HCID 22151
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Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
5863-46-7
Standard SMILES
CCN(CC)c1ccc(C(=C2C=CC(=[N+](CC)Cc3cccc(S(=O)(=O)[O-])c3)C=C2)c2ccc(N(CC)Cc3cccc(S(=O)(=O)[O-])c3)cc2)c(C)c1.[Na+]
InChIKey
IXNUVCLIRYUKFB-UHFFFAOYSA-M
Molecular formula
C42H46N3NaO6S2
Average molar mass
776 g/mol
Monoisotopic mass
775.27257282

Overview

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Names & identifiers

Preferred name
hydrogen (4-((4-(diethylamino)-o-tolyl)(4-(ethyl(3-sulphonatobenzyl)amino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)(ethyl)(3-sulphonatobenzyl)ammonium, sodium salt
IUPAC
sodium 3-[[4-[[4-(diethylamino)-2-methylphenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethylanilino]methyl]benzenesulfonate
English name
Acid blue 15
Molecular formula
C42H46N3NaO6S2
Molecular weight
776.96

Names & synonyms

Benzenemethanaminium, N-(4-((4-(diethylamino)-2-methylphenyl)(4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-3-sulfo-, hydroxide, inner salt, sodium saltBenzenemethanaminium, N-(4-((4-(diethylamino)-2-methylphenyl)(4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-3-sulfo-, inner salt, sodium salt (1:1)Benzenemethanaminium, N-[4-[[4-(diethylamino)-2-methylphenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfo-, hydroxide, inner salt, sodium saltHydrogen (4-((4-(diethylamino)-o-tolyl)(4-(ethyl(3-sulphonatobenzyl)amino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)(ethyl)(3-sulphonatobenzyl)ammonium, sodium saltHydrogen [4-[[4-(diethylamino)-o-tolyl][4-[ethyl(3-sulphonatobenzyl)amino]phenyl]methylene]cyclohexa-2,5-dien-1-ylidene](ethyl)(3-sulphonatobenzyl)ammonium, sodium saltBenzenemethanaminium, N-[4-[[4-(diethylamino)-2-methylphenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfo-, inner salt, sodium salt (1:1)RefChem:789044227-511-3Acid Blue 155863-46-7sodium;3-[[4-[[4-(diethylamino)-2-methylphenyl]-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethylanilino]methyl]benzenesulfonateBenzenemethanaminium, N-(4-((4-(diethylamino)-2-methylphenyl)(4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-3-sulfo-, inner salt, sodium salt
Show more names
CI 42645CI NO 42665SERVA BLUE WWater Blue 116Lecotan Blue ALTriacid Blue B.Vicoacid Blue 15C.I. Acid Blue 15Raviramine Blue BS
Benzenemethanaminium, N-[4-[[4-(diethylamino)-2-methylphenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfo-, inner salt, sodium saltEINECS 227-511-3SCHEMBL5450183SERVA Blue W soluble in waterSCHEMBL29356850DTXSID20974173IXNUVCLIRYUKFB-UHFFFAOYSA-MNS00127270

Database identifiers

CAS
5863-46-7
PubChem CID
22151
DTXSID
DTXSID20974173
EC Number
227-511-3

Properties

Computed structural properties

Topological polar surface area
141 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
12
Heavy atoms
54
Formal charge
0
Complexity
1,410

Physicochemical properties

Density
1.342 · 1.342[at 20℃]
LogP
-1.43 at · -1.43 at 20℃
CAS DataBase Reference
5863 · 5863-46-7
EPA Substance Registry System
4 · Benzenemethanaminium, N-[4-[[4-(diethylamino)-2-methylphenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfo-, inner salt, sodium salt (5863-46-7)
Symbol(GHS)
9 · GHS09
Signal word
Warning
Hazard statements
411 · H411
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 · 4 items

This chemical does not meet GHS hazard criteria for 38.9% (7 of 18) of reports.

H411 (61.1%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 18 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 2 items

Chemical: Benzenemethanaminium, N-[4-[[4-(diethylamino)-2-methylphenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfo-, hydroxide, inner salt, sodium salt

REACH registered substance: Hydrogen [4-[[4-(diethylamino)-o-tolyl][4-[ethyl(3-sulphonatobenzyl)amino]phenyl]methylene]cyclohexa-2,5-dien-1-ylidene](ethyl)(3-sulphonatobenzyl)ammonium, sodium salt (EC: 227-511-3)

Hazard Classes and CategoriesAquatic Chronic 2 (61.1%)

Safety data

tsca
TSCA listed
Signal word
Warning
Symbol(GHS)
GHS09
Hazard statements
H411
REACH Registrations
Active

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzenemethanaminium, N-[4-[[4-(diethylamino)-2-methylphenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfo-, inner salt, sodium salt (1:1): ACTIVE
Applications · 1 item

UsesACID BLUE 15 can be used for dyeing wool, silk, and wool blends. It can also be used for direct printing on wool, silk, and viscose fabrics, producing bright and vibrant colors. It can also be used in combination with acid mordant dyes to dye navy blue, enhancing its color. It can also be used in a neutral bath with direct lightfast dyes to dye wool/viscose blends. When used for dyeing wool with other fibers, wool, nylon, and silk achieve similar colors, polyester shows slight staining, and cellulose fibers do not stain. It is also used in the manufacture of organic pigments and for leather coloring.

Preparation methods

PreparationFormaldehyde(1 Moore) and N,N-diethyl-3-methylbenzenamine (2 Moore) condensation, and then in 3-(Ethyl(phenyl)amino)methyl)benzenesulfonic acidwith heavy chromate acid oxidation.

Upstream & downstream products

Upstream raw materials

Sodium dichromate dihydrateFormaldehydeN-PhenylbenzylamineN,N-Diethyl-m-toluidineFormaldehydeN-Ethyl-N-benzylaniline-3'-sulfonic acid

Suppliers11 total

湖北长耀生物科技有限公司17683887209 17683887209 · [email protected]
郑州安步防护用具有限公司+86-0371-88006763; +86-15988602810 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
广州市禄涞医药科技有限公司13660253774 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]

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Compound notes

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