Basic Blue 11

HCID 16599

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Basic information

CAS: 2185-86-6
Standard SMILES: CC[NH+]=C1C=CC(=C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)c2ccccc21.[Cl-]
InChIKey: JEVGKYBUANQAKG-UHFFFAOYSA-N
Molecular formula: C29H32N3.Cl
Average molar mass: 458 g/mol
Monoisotopic mass: 457.2284757

Overview

Victoria blue R is an iminium salt composed of 4-{[4-(dimethylamino)phenyl][4-(ethylamino)naphthalen-1-yl]methylidene}-N,N-dimethylcyclohexa-2,5-dien-1-iminium and chloride ions in a 1:1 ratio. It has a role as a fluorochrome and a histological dye. It is an iminium salt and an organic chloride salt. It contains a victoria blue R(1+).

Names & identifiers

Preferred name: Basic Blue 11
IUPAC: [4-[bis[4-(dimethylamino)phenyl]methylidene]naphthalen-1-ylidene]-ethylazanium chloride
English name: Basic Blue 11
Molecular formula: C29H32ClN3
Molecular weight: 458.05

Names & synonyms

Victoria Blue R2185-86-6Basic Blue 11BASIC BLUE KC.I. 44040CI 44040CHEBI:90518RefChem:116617218-572-7Victoria Blue RSC.I. Basic Blue 11Victoria Lake Blue R

Show more names

CI NO 44040VICTORYBLUEvictoriabluersCIPIGMENTBLUE2C.I.Basicblue11victorialakebluer

Hidaco Victoria Blue RAizen Victoria Blue BOHN-(4-((4-(Dimethylamino)phenyl)(4-(ethylamino)naphthalen-1-yl)methylene)cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium chloride[4-[bis[4-(dimethylamino)phenyl]methylidene]naphthalen-1-ylidene]-ethylazanium;chloride4-{[4-(dimethylamino)phenyl][4-(ethylamino)naphthalen-1-yl]methylidene}-N,N-dimethylcyclohexa-2,5-dien-1-iminium chloride5-cyclohexadien-1-ylidene)-n-methyl-thylene)-chloride5-cyclohexadien-1-ylidene]-n-methyl-thylene]-chloridebasicbluek

Database identifiers

CAS: 2185-86-6
PubChem CID: 16599
DTXSID: DTXSID90883804
ChEBI: CHEBI:90518
EC Number: 218-572-7

Properties

Computed structural properties

Topological polar surface area: 20.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 33
Formal charge: 0
Complexity: 670

Physicochemical properties

Boiling point: 603.76 °C · 603.76°C (rough estimate)
Density: 1.0153 · 1.0153 (rough estimate)
refractive index: 1.601 · 1.6010 (estimate)
storage temp.: Refrigerator
solubility: DMSO (Slightly), Methanol (Slightly)
form: Solid
Colour Index: 44040 · 44040
color: Dark Green to Very Dark Green
Water Solubility: 0.5 g/L · 0.5 g/L (20 ºC)
λmax: 615 nm · 615 nm
ε(extinction coefficient): 11000 at · ≥11000 at 252nm in methanol at 0.005g/L≥54000 at 577nm in methanol at 0.005g/L≥9000 at 330nm in methanol at 0.005g/L
Major Application: diagnostic assay manufacturinghematologyhistology
InChI: 1S/C29H31N3.ClH/c1-6-30-28-20-19-27(25-9-7-8-10-26(25)28)29(21-11-15-23(16-12-21)31(2)3)22-13-17-24(18-14-22)32(4)5;/h7-20H,6H2,1-5H3;1H
InChIKey: JEVGKYBUANQAKG-UHFFFAOYSA-N
SMILES: [Cl-].CCNc1ccc(\C(c2ccc(cc2)N(C)C)=C3/C=C\C(C=C3)=[N+](\C)C)c4ccccc14
CAS DataBase Reference: 2185 · 2185-86-6(CAS DataBase Reference)
EPA Substance Registry System: 4 · Methanaminium, N-[4-[[4-(dimethylamino)phenyl][4-(ethylamino)-1-naphthalenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, chloride (2185-86-6)
UNSPSC Code: 12171500 · 12171500
NACRES: 47 · NA.47
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 301 · P301+P312+P330
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xn
Risk Statements: 22 · 22
Safety Statements: 36 · 36
WGK Germany: 3 · 3
RTECS: 780300 · PA0780300
TSCA: TSCA listed
HS Code: 32041900 · 32041900
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 Oral · Acute Tox. 4 Oral

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

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory InformationChemical: Methanaminium, N-[4-[[4-(dimethylamino)phenyl][4-(ethylamino)-1-naphthalenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, chloride

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
tsca: TSCA listed
rtecs: PA0780300
hs_code: 32041900
risk_code: 22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 36
Storage Class: 11 - Combustible Solids
Hazard statements: H302
Hazard Classifications: Acute Tox. 4 Oral
Precautionary statements: P301+P312+P330

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationMethanaminium, N-[4-[[4-(dimethylamino)phenyl][4-(ethylamino)-1-naphthalenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, chloride (1:1): ACTIVE

Applications · 1 item

UsesVictoria Blue R (C.I. 44040) (cas# 2185-86-6) is a useful research chemical. Dyes and metabolites.It is used in preparation and photocatalytic activity of tio2/ppy/go for degrdation of rose bengal and victoria blue dye in visible light in aqueous solution.

Preparation methods · 1 item

Preparation(a) Bis (4 – (dimethylamino) phenyl) methanol and N-Ethylnaphthalen-1-amine condensation, and make their products into N-and the nitro derivatives, and then oxidation, remove the nitro; (b) 4-(Dichloro(4-(dimethylamino)phenyl)methyl)-N,N-dimethylbenzenamineand N-Ethylnaphthalen-1-aminecondensation.

Upstream & downstream products

Upstream raw materials

Michler's ketone Phosphorus oxitrichloride N-Ethyl-1-naphthylamine Benzophenone Diphenylamine N-Ethyl-3-methylaniline N-Ethyl-1-naphthylamine 4,4'-Bis(dimethylamino)benzhydrol 4-(dichloro(4-(dimethylamino)phenyl)methyl)-N,N-dimethylbenzenamine

Downstream products

Pigment Fast Reddish Blue Lake BO

Suppliers53 total

湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Additional notes

DefinitionChEBI: An iminium salt composed of 4-{[4-(dimethylamino)phenyl][4-(ethylamino)naphthalen-1-yl]methylidene}-N,N-dimethylcyclohexa-2,5-dien-1-iminium and chloride ions in a 1:1 ratio.

Related reactions

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