Brilliant Blue FCF

ChemSpider ID: 18556
Molecular Formula: C₃₇H₃₄N₂Na₂O₉S₃
Average mass: 792.848389 Da
Monoisotopic mass: 792.122192 Da
Systematic name

Disodium 2-[(Z)-{4-[ethyl(3-sulfonatobenzyl)amino]phenyl}{(4Z)-4-[ethyl(3-sulfonatobenzyl)iminio]-2,5-cyclohexadien-1-ylidene}methyl]benzenesulfonate
SMILES and InChIs

SMILES:

[Na+].[Na+].[O-]S(=O)(=O)c1cccc(c1)CN(c2ccc(cc2)/C(=C\4/C=C\C(=[N+](\CC)Cc3cccc(c3)S([O-])(=O)=O)/C=C/4)c5ccccc5S([O-])(=O)=O)CC Copied

Std. InChI:

InChI=1S/C37H36N2O9S3.2Na/c1-3-38(25-27-9-7-11-33(23-27)49(40,41)42)31-19-15-29(16-20-31)37(35-13-5-6-14-36(35)51(46,47)48)30-17-21-32(22-18-30)39(4-2)26-28-10-8-12-34(24-28)50(43,44)45;;/h5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48);;/q;2*+1/p-2 Copied

Std. InChIKey:

SGHZXLIDFTYFHQ-UHFFFAOYSA-L Copied
Cite this record
CSID:18556, http://www.chemspider.com/Chemical-Structure.18556.html (accessed 14:34, May 18, 2013) Copied

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

Brilliant Blue FCF [Wiki]

C.I. Food Blue 2

3844-45-9 [RN]

Acid Blue 9

Alphazurine FG

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

benzenemethanaminium, N-ethyl-N-[(1Z,4Z)-4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt, disodium salt

benzenemethanaminium, N-ethyl-N-[(1Z,4Z)-4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt, sodium salt (1:2)

Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt, disodium salt

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

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C.I. ACID BLUE 9

C.I. Acid Blue 9, disodium salt

Disodium 2-({4-[ethyl(3-sulfonatobenzyl)amino]phenyl}{4-[ethyl(3-sulfonatobenzyl)iminio]cyclohexa-2,5-dien-1-ylidene}methyl)benzenesulfonate

Disodium 2-[(E)-{4-[ethyl(3-sulfonatobenzyl)amino]phenyl}{(4E)-4-[ethyl(3-sulfonatobenzyl)iminio]cyclohexa-2,5-dien-1-ylidene}methyl]benzenesulfonate

Disodium 2-[(Z)-{4-[ethyl(3-sulfonatobenzyl)amino]phenyl}{(4Z)-4-[ethyl(3-sulfonatobenzyl)iminio]-2,5-cyclohexadien-1-ylidene}methyl]benzenesulfonate [ACD/IUPAC Name]

Disodium 2-[(Z)-{4-[ethyl(3-sulfonatobenzyl)amino]phenyl}{(4Z)-4-[ethyl(3-sulfonatobenzyl)iminio]cyclohexa-2,5-dien-1-ylidene}methyl]benzenesulfonate

FD & C Blue No. 1

FD and C Blue No. 1

FD&C Blue No. 1

FDC Blue No. 1

N-Ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfobenzenemethanaminium Hydroxide Inner Salt Disodium Salt

1206 Blue

145087-80-5 [RN]

220-168-0 [EINECS]

223-339-8 [EINECS]

25305-78-6 [RN]

2650-18-2 [RN]

70992-30-2 [RN]

73319-02-5 [RN]

82526-32-7 [RN]

83155-13-9 [RN]

Acid Sky Blue A

Aizen Food Blue No. 2

Ammonium, ethyl(4-(p-(ethyl(m-sulfobenzyl)amino)-α-(o-sulfophenyl)benzylidene)-2,5-cyclohexadien-1-ylidene)(m-sulfobenzyl)-, hydroxide, inner salt, disodium salt

Benzenemethanaminium, N-ethyl-N-(4-((4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)(2-sul- fophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-3-sulfo-, hydroxide, inner salt, disodium salt

Benzenemethanaminium, N-ethyl-N-(4-((4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)(2-sulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-3-sulfo-, hydroxide, inner salt, disodium salt

Benzenemethanaminium, N-ethyl-N-(4-((4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)(2-sulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-3-sulfo-, inner salt, disodium salt

Brilliant Blue FCF Supra

Canacert Brilliant Blue FCF

Colour Index, Food Blue 2

Cosmetic Blue Lake

Dihydrogen (ethyl)(4-(4-(ethyl(3-sulphonatobenzyl)amino)-2'-sulphonatobenzhydrylidene)cyclohexa-2,5-dien-1-ylidene)(3-sulphonatobenzyl)ammonium, disodium salt

dihydrogen (ethyl)[4-[4-[ethyl(3-sulphonatobenzyl)]amino]-2'-sulphonatobenzhydrylidene]cyclohexa-2,5-dien-1-ylidene](3-sulphonatobenzyl)ammonium, disodium salt

disodium 2-{(Z)-(4-{ethyl[(3-sulfonatophenyl)methyl]amino}phenyl)[(4Z)-4-{ethyl[(3-sulfonatophenyl)methyl]iminio}cyclohexa-2,5-dien-1-ylidene]methyl}benzenesulfonate

Dolkwal Brilliant Blue

Erioglaucine disodium salt

Erioglaucinedisodiumsalt

Fenazo Blue XI

Food Blue 2

Food Blue Dye No. 1

Food Blue No. 1

Hexacol Brilliant Blue A

Intracid Pure Blue L

Japan Blue 1

Japan Blue No. 1

Merantine Blue EG

Modr Brilantni FCF [Czech]

Modr Kysela 9 [Czech]

Modr Potravinarska 2 [Czech]

N-Ethyl-N-(4-((4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)(2-sul- fophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-3-sulfobenzeneme- thanaminium hydroxide, inner salt, disodium salt

Usacert Blue No. 1

Usacert FD and C Blue No. 1

ブリリアントブルーFCF [Japanese]

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Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

45620_FLUKA [DBID]

861146_SIAL [DBID]

Blue 1206 [DBID]

C.I. 42090 [DBID]

CCRIS 97 [DBID]

LS-2408 [DBID]

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Properties

Experimental data
Predicted - ACD/Labs
Predicted - ChemAxon

Data supplied by datasources and users.

Predicted Physico-chemical Properties
- Predicted Melting Point:
  
  283 deg C (283 °C) J and K Scientific

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

ACD/LogP:		# of Rule of 5 Violations:
ACD/LogD (pH 5.5):		ACD/LogD (pH 7.4):
ACD/BCF (pH 5.5):		ACD/BCF (pH 7.4):
ACD/KOC (pH 5.5):		ACD/KOC (pH 7.4):
#H bond acceptors:	11	#H bond donors:	3
#Freely Rotating Bonds:	12	Polar Surface Area:	194.5 Å²
Index of Refraction:		Molar Refractivity:	cm³
Molar Volume:	cm³	Polarizability:	10^-24cm³
Surface Tension:	dyne/cm	Density:	g/cm³
Flash Point:	°C	Enthalpy of Vaporization:	kJ/mol
Boiling Point:	°C at 760 mmHg	Vapour Pressure:	mmHg at 25°C

Click to predict properties on the Chemicalize site

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Brilliant Blue FCF

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Brilliant Blue FCF

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