chempirical

Reactive black 5

C26H21N5Na4O19S6CAS 17095-24-8991.79 g/mol

Open in Covalent MOL file
NH2NNSOOOSO−OOSO−OOSO−OONNSOOOSO−OOOHNa+Na+Na+Na+
AzoPhenolPrimary amineSulfoneSulfonic acid

Properties

Molecular formula
C26H21N5Na4O19S6
Molar mass
991.79 g/mol
Exact mass
990.8746 Da
logP
1.11Crippen estimate
Polar surface area
399.9 Ų
H-bond donors / acceptors
6 / 20
Rotatable bonds
16

Identifiers

CAS number
17095-24-8
SMILES
Nc1c(N=Nc2ccc(S(=O)(=O)CCOS([O-])(=O)=O)cc2)c(S([O-])(=O)=O)cc2cc(S([O-])(=O)=O)c(N=Nc3ccc(S(=O)(=O)CCOS([O-])(=O)=O)cc3)c(O)c12.[Na+].[Na+].[Na+].[Na+]
InChIKey
FIDMUJIVRZQJIG-UHFFFAOYSA-N
InChI
InChI=1S/C26H25N5O19S6.4Na/c27-23-22-15(13-20(53(37,38)39)24(23)30-28-16-1-5-18(6-2-16)51(33,34)11-9-49-55(43,44)45)14-21(54(40,41)42)25(26(22)32)31-29-17-3-7-19(8-4-17)52(35,36)12-10-50-56(46,47)48;;;;/h1-8,13-14,32H,9-12,27H2,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48);;;;

Weigh it out

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

Names and synonyms

59 names · show all
  • 2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-3,6-bis[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-, sodium salt (1:4)
  • 2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-3,6-bis[[p-[(2-hydroxyethyl)sulfonyl]phenyl]azo]-, 3,6-bis(hydrogen sulfate) (ester), tetrasodium salt
  • 2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-3,6-bis[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-, tetrasodium salt
  • Cavalite black B
  • C.I. Reactive black 5
  • Remazol black B
  • Primazin black BN
  • Celmazol black B
  • Sumifix black B
  • Diamira black B
  • Drimarene black R/K 3B
  • Remazol black GF
  • Levafix black E-B
  • Intracron black VS-B
  • C.I. 20505
  • Taifix black B-T
  • Procion black E-B
  • Remazol black B-ID
  • Reactive black KNB
  • Reactive black 4ST
  • Ostazin black V-B
  • Sumifix supra black B
  • Remazol black SB
  • Synozol black B 150
  • Synozol black B
  • Cibacron navy W-B
  • Remazol black GR
  • Helaktyn black B
  • Primazine black BN
  • Navictive black B
  • Remazol black B 133
  • Everzol black B
  • Reactive black B
  • Reactive dark blue B-BF
  • Basilen black F-DF
  • Basilen black F-B
  • Reactive black KN-G 2RC
  • Cibacron marine W-B
  • Remazol black 5
  • Reactive black VB
  • Reactive black KN-GRRC
  • Reactive black B plus
  • Reactive black B 5
  • Novacron black R
  • Atulzol black B
  • Jackazol black B
  • Ruikesu black B 133
  • Remazol black 133B
  • Everzol black GSP
  • Ismative black B
  • Adizol black B
  • Navacron black R
  • Setazol black DPT
  • Cibacron navy DP-B
  • Duractive black B
  • Reactive black V 2B
  • RBk 5
  • Active black RB 5
  • Everzol black BHC

Work with Reactive black 5

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

Direct black 196428-31-558 % similar Amido black 10B1064-48-858 % similar C.I. Acid black 234157577-99-655 % similar Direct black 381937-37-754 % similar Direct blue 62602-46-254 % similar Acid black NT99576-15-548 % similar Diaminogene velour black B2429-73-447 % similar 4,5-Dihydroxynaphthalene-3-(4-nitrophenylazo)-2,7-disulfonic acid disodium salt548-80-146 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook