Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Brilliant Blue
RN: 3844-45-9
InChIKey: SGHZXLIDFTYFHQ-UHFFFAOYSA-L

Note

  • Coal tar derivative food dye; used as the di-NH4 or di-Na salts.

Molecular Formula

  • C37-H36-N2-O9-S3.2Na

Molecular Weight

  • 792.8586
 

Classification Codes

Classification Codes

  • Coloring Agents
  • Mutation Data
  • Tumor Data

Superlist Classification Code

  • Overall Carcinogenic Evaluation: Group 3
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 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
  • Brilliant Blue
  • Brilliant Blue FCF Supra
  • FD & C Blue No. 1
  • FD&C Blue No. 1
  • N-Ethyl-N-(4-((4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)(2-sulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-3-sulfobenzeneme- thanaminium hydroxide, inner salt, disodium salt

Synonyms

  • 1206 Blue
  • Acid Sky Blue A
  • Aizen Food Blue No. 2
  • Blue 1206
  • Blue No. 1
  • Brilliant Blue E 133
  • Brilliant Blue FCF Supra
  • C.I. Acid Blue 9, disodium salt
  • C.I. Food Blue 2
  • Canacert Brilliant Blue FCF
  • CCRIS 97
  • Cosmetic Blue Lake
  • D&C Blue No. 1
  • Dolkwal Brilliant Blue
  • EINECS 223-339-8
  • FD & C Blue No. 1
  • FD and C Blue No. 1
  • FD&C Blue 1
  • FDC Blue No. 1
  • Fenazo Blue XI
  • Food Blue 1
  • Food Blue 2
  • Food Blue Dye No. 1
  • Food Blue No. 1
  • Hexacol Brilliant Blue A
  • HSDB 7972
  • Intracid Pure Blue L
  • Japan Blue 1
  • Japan Blue No. 1
  • Merantine Blue EG
  • Modr Brilantni FCF
  • Modr Brilantni FCF [Czech]
  • Modr Kysela 9
  • Modr Kysela 9 [Czech]
  • Modr Potravinarska 2
  • Modr Potravinarska 2 [Czech]
  • UNII-H3R47K3TBD
  • UNII-PPQ093M8HR
  • Usacert Blue No. 1
  • Usacert FD and C Blue No. 1

Systematic Names

  • Ammonium, ethyl(4-(p-(ethyl(m-sulfobenzyl)amino)-alpha-(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-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
  • 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)
  • C.I. Acid Blue 9, disodium salt
  • Dihydrogen (ethyl)(4-(4-(ethyl(3-sulphonatobenzyl)amino)-2'-sulphonatobenzhydrylidene)cyclohexa-2,5-dien-1-ylidene)(3-sulphonatobenzyl)ammonium, disodium salt

Superlist Names

  • Brilliant Blue FCF
  • C.I. Acid Blue 9, disodium salt
  • FD&C Blue No. 1

Registry Numbers

CAS Registry Number

  • 3844-45-9

FDA UNIIs

  • H3R47K3TBD
  • PPQ093M8HR

Other Registry Numbers

  • 1314116-65-8
  • 145087-80-5
  • 1848225-75-1
  • 511534-53-5
  • 70992-30-2
  • 73319-02-5
  • 82526-32-7
  • 83155-13-9

Related Registry Number

  • 25305-78-6 (Parent)

System Generated Number

  • 0003844459

Molecular Formulas

Molecular Formula

  • C37-H36-N2-O9-S3.2Na

Molecular Formula Fragments

  • C37-H36-N2-O9-S3
  • COMPONENT
  • Na

Structure Descriptors

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

InChIKey

SGHZXLIDFTYFHQ-UHFFFAOYSA-L

Smiles

C(=C1\C=C\C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])CC)C=C1)(/c1c(cccc1)S(=O)(=O)[O-])c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC.[Na+].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 4600mg/kg (4600mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Zeitschrift fuer Krebsforschung. Vol. 64, Pg. 287, 1961.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -0.320 (none)   EST
Atmospheric OH Rate Constant 2.37E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.