C.I. Acid black 2

C22H14N6Na2O9S2CAS 8005-03-6616.49 g/mol

Open in Covalent MOL file
NNSOOO−SOOO−NNN+OO−H2NHONa+Na+
AzoNitroPhenolPrimary amineSulfonic acid

Properties

Molecular formula
C22H14N6Na2O9S2
Molar mass
616.49 g/mol
Exact mass
616.0059 Da
logP
-1.32Crippen estimate
Polar surface area
253.2 Ų
H-bond donors / acceptors
2 / 14
Rotatable bonds
7

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
8005-03-6
SMILES
C1=CC=C(C=C1)N=NC2=C(C3=C(C(=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC4=CC=C(C=C4)[N+](=O)[O-])N)O.[Na+].[Na+]
InChIKey
AOMZHDJXSYHPKS-UHFFFAOYSA-L
InChI
InChI=1S/C22H16N6O9S2.2Na/c23-19-18-12(11-17(39(35,36)37)21(22(18)29)27-24-13-4-2-1-3-5-13)10-16(38(32,33)34)20(19)26-25-14-6-8-15(9-7-14)28(30)31;;/h1-11,29H,23H2,(H,32,33,34)(H,35,36,37);;/q;2*+1/p-2

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

Names and synonyms

68 names · show all
  • Nigrosine water soluble
  • Victacid nigrosine black crystals
  • Pacid leather black
  • Nigrosine (crystals)NBL(blush)
  • Nigrosine crystals
  • Pacid black 2
  • Conacid black B
  • Dycosacid nigrosine NBL (reddish)
  • Dycosacid nigrosine NBL (bluish)
  • Orient nigrosine OZ
  • Nigrosine NBSS water soluble
  • Cramity 81
  • Orient nubian black PA 9803
  • Nubian black PA9803
  • Orient nubian black EP 5
  • Nubian black EP 5
  • Nigrosine WS
  • Nigrosine W-L
  • Nigrosine W
  • Nigrosine W liquid
  • Orient water black R 455S
  • Oil black EX
  • Nubian black PC 0850
  • PC 0850
  • SOM-L 0468
  • NA 143
  • Nigrosine
  • C.I. 50420
  • Nigrosine B
  • Nigrosin
  • Lurazol deep blue EB
  • Calco nigrosine O 2P
  • Nigrosine black
  • Nigrosine WSB
  • Nigrosine WL water soluble
  • Nigrosine CBRS
  • Orient nigrosine BR
  • Nigrosine NB
  • Water black R 500
  • Water black R 455
  • Orient water black R 455
  • Acid black 2
  • Oil black S
  • Oil black FS special
  • Water black R 510
  • Orient water black R 510
  • Nigrosine NB conc
  • Nigrosine WLAH
  • Orient water black R 500
  • Nigrosine WLF uncut
  • Nigrosine WLF
  • Sandopel basic black BHLN
  • Orient nubian black PA 9801
  • Nubian black PA 9801
  • Acid black WR
  • Orient water black R 456
  • Nigrosine MS
  • Water black 179128
  • Nigtrosine WS
  • Nigrosine WLL
  • Vicoacid nigrosine black
  • Dinacid nigrosine WS
  • Acid nigrosine
  • Nigrosine NN water soluble
  • Dyacid nigrosine NBS xtals
  • ADC nigrosine black B
  • Triacid nigrosine WS
  • Nigrosine (crystals)NBL(reddish)

Work with C.I. Acid black 2

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Amido black 10B1064-48-8

Similar compounds

4,5-Dihydroxynaphthalene-3-(4-nitrophenylazo)-2,7-disulfonic acid disodium salt548-80-170 % similar Direct black 381937-37-764 % similar Direct black 196428-31-563 % similar Acid black NT99576-15-563 % similar C.I. Acid black 234157577-99-658 % similar Reactive black 517095-24-858 % similar Direct blue 62602-46-255 % similar Sodium 4,5-dihydroxy-3,6-bis[2-(2-sulfophenyl)diazenyl]-2,7-naphthalenedisulfonate (4:1)68504-35-853 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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