chempirical

Brilliant black bn

C28H17N5Na4O14S4CAS 2519-30-4867.66 g/mol

Open in Covalent MOL file
OHNSO−OOSO−OONNNNSO−OOSO−OOOHNa+Na+Na+Na+
AzoPhenolSulfonic acid

Properties

Molecular formula
C28H17N5Na4O14S4
Molar mass
867.66 g/mol
Exact mass
866.9246 Da
logP
4.60Crippen estimate
Polar surface area
319.7 Ų
H-bond donors / acceptors
6 / 14
Rotatable bonds
9

Identifiers

CAS number
2519-30-4
SMILES
CC(=O)Nc1ccc(S([O-])(=O)=O)c2cc(S([O-])(=O)=O)c(N=Nc3ccc(N=Nc4ccc(S([O-])(=O)=O)cc4)c4ccc(S([O-])(=O)=O)cc34)c(O)c12.[Na+].[Na+].[Na+].[Na+]
InChIKey
HYFRXHKGULCPMO-UHFFFAOYSA-N
InChI
InChI=1S/C28H21N5O14S4.4Na/c1-14(34)29-23-10-11-24(50(42,43)44)20-13-25(51(45,46)47)27(28(35)26(20)23)33-32-22-9-8-21(18-7-6-17(12-19(18)22)49(39,40)41)31-30-15-2-4-16(5-3-15)48(36,37)38;;;;/h2-13,35H,1H3,(H,29,34)(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47);;;;

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

27 names · show all
  • 1,7-Naphthalenedisulfonic acid, 4-(acetylamino)-5-hydroxy-6-[2-[7-sulfo-4-[2-(4-sulfophenyl)diazenyl]-1-naphthalenyl]diazenyl]-, sodium salt (1:4)
  • C.I. Food Black 1, tetrasodium salt
  • 1,7-Naphthalenedisulfonic acid, 4-(acetylamino)-5-hydroxy-6-[[7-sulfo-4-[(4-sulfophenyl)azo]-1-naphthalenyl]azo]-, tetrasodium salt
  • C.I. Food black 1
  • 1743 Black
  • C.I. 28440
  • Black PN
  • Blue black BN
  • Brilliant acid black BNA export
  • Brilliant acid black BN extra pure A
  • Brilliant black A
  • Brilliant black NFQ
  • Brilliant black NAF
  • Certicol black PNW
  • Cilefa black B
  • Edicol supra black BN
  • Hexacol black PN
  • Melan black
  • Tetrasodium 2-[4-(p-sulfophenylazo)-7-sulfo-1-naphthylazo]-8-acetamido-1-naphthol-3,5-disulfonate
  • Xylene black F
  • Brilliant black PN
  • Food black 1
  • L Black 8000
  • Brilliant black N
  • E 151
  • Brilliant black 80
  • Brilliant black 1

Work with Brilliant black bn

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Red 2G3734-67-660 % similar Direct red 233441-14-351 % similar Ponceau S6226-79-550 % similar Amaranth (dye)915-67-349 % similar Direct blue 714399-55-748 % similar Direct orange 263626-36-644 % similar Acid orange 20523-44-443 % similar Direct blue 62602-46-243 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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