(Q420093)

Brilliant Blue FCF (English)

18 November 2016

chemical formula

C₃₇H₃₄N₂Na₂O₉S₃

1 reference

Brilliant Blue FCF (English)

18 November 2016

canonical SMILES

CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=CC=CC=C5S(=O)(=O)[O-].[Na+].[Na+]

1 reference

safety classification and labelling

Brilliant Blue FCF (English)

18 November 2016

200 gram per litre

25 degree Celsius

0 references

NFPA 704: Standard System for the Identification of the Hazards of Materials for Emergency Response

0

1

0

no value

1 reference

imported from Wikimedia project

English Wikipedia

acceptable daily intake

12.5 milligram per kilogram

0 references

Commons category

Brilliant Blue FCF

0 references

Identifiers

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

1 reference

Brilliant Blue FCF (English)

18 November 2016

2 references

Brilliant Blue FCF (English)

18 November 2016

Global Substance Registration System

14 February 2018

1 reference

Global Substance Registration System

14 February 2018

1 reference

Brilliant Blue FCF (English)

9 October 2016

2 references

Brilliant Blue FCF (English)

18 November 2016

137345951

1 reference

58779747

1 reference

ChEBI ID

82411

mapping relation type

3 references

CHEMBL3184128 (English)

18 November 2016

ChEBI release 2021-03-01

International Chemical Identifier

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

1 reference

CHEMBL3184128 (English)

18 November 2016

2 references

inferred from InChIKey

SCHEMBL124487

2 references

based on heuristic

inferred from InChIKey

HSDB ID

7972

1 reference

Hazardous Substances Data Bank

28 October 2019

Brilliant Blue (English)

10 May 2021

2 references

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

DSSTOX compound identifier

DTXCID40189

0 references

EC number

223-339-8

1 reference

Global Substance Registration System

UNII

PPQ093M8HR

ECHA Substance Infocard ID

14 February 2018

100.021.219

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.021.219

27 December 2018

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

quotation

CAS no.: 3844-45-9 (English)

E number

E133

1 reference