Brilliant Blue supplier | CasNO.25305-78-6

Name
BRILLIANTBLUEFCF(FOOD)
EINECS
CAS No. 25305-78-6
Density g/cm³
Solubility
Melting Point
Formula C₃₇H₃₆N₂O₉S₃
Boiling Point °Cat760mmHg
Molecular Weight 748.8847
Flash Point °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms BRILLIANTBLUEFCF(FOOD);BRILLIANTBLUEFCF(TECH)
PSA
LogP

Brilliant Blue Specification

The Brilliant Blue is an organic compound with the formula C₃₇H₃₆N₂O₉S₃. The IUPAC name of this chemical is 3-[[ethyl-[4-[[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]-(2-sulfophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]azaniumyl]methyl]benzenesulfonate. With the CAS registry number 25305-78-6, it is also named as Acid blue 9 aluminum lake. The product's classification code is Coloring Agents.

Physical properties about Brilliant Blue are: (1)#H bond acceptors: 11; (2)#H bond donors: 3; (3)#Freely Rotating Bonds: 12; (4)Polar Surface Area: 172.5 Å².

You can still convert the following datas into molecular structure:
(1)SMILES: 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
(2)InChI: InChI=1/C37H36N2O9S3/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)
(3)InChIKey: CTRXDTYTAAKVSM-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C37H36N2O9S3/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)
(5)Std. InChIKey: CTRXDTYTAAKVSM-UHFFFAOYSA-N

Product Name

BRILLIANTBLUEFCF(FOOD)

Brilliant Blue Specification

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