chempirical

Arsenazo III

C22H18As2N4O14S2CAS 1668-00-4776.36 g/mol

Open in Covalent MOL file
OSOOHSOOOHNNAsOOHHOOHOHNNAsOOHOH
AzoPhenolSulfonic acid

Properties

Molecular formula
C22H18As2N4O14S2
Molar mass
776.36 g/mol
Exact mass
775.8693 Da
logP
0.70Crippen estimate
Polar surface area
313.7 Ų
H-bond donors / acceptors
8 / 12
Rotatable bonds
8

Hazards

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

Identifiers

CAS number
1668-00-4
SMILES
O=S(=O)(O)c1cc2cc(S(=O)(=O)O)c(N=Nc3ccccc3[As](=O)(O)O)c(O)c2c(O)c1N=Nc1ccccc1[As](=O)(O)O
InChIKey
UQHVTNUJRKELCE-UHFFFAOYSA-N
InChI
InChI=1S/C22H18As2N4O14S2/c29-21-18-11(9-16(43(37,38)39)19(21)27-25-14-7-3-1-5-12(14)23(31,32)33)10-17(44(40,41)42)20(22(18)30)28-26-15-8-4-2-6-13(15)24(34,35)36/h1-10,29-30H,(H2,31,32,33)(H2,34,35,36)(H,37,38,39)(H,40,41,42)

Weigh it out

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

Names and synonyms

8 names
  • 2,7-Naphthalenedisulfonic acid, 3,6-bis[2-(2-arsonophenyl)diazenyl]-4,5-dihydroxy-
  • 2,7-Naphthalenedisulfonic acid, 3,6-bis[(o-arsonophenyl)azo]-4,5-dihydroxy-
  • 2,7-Naphthalenedisulfonic acid, 3,6-bis[(2-arsonophenyl)azo]-4,5-dihydroxy-
  • Benzenearsonic acid, 2,2′-(1,8-dihydroxy-3,6-disulfo-2,7-naphthylenebisazo)di-
  • 3,6-Bis[2-(2-arsonophenyl)diazenyl]-4,5-dihydroxy-2,7-naphthalenedisulfonic acid
  • 2,7-Bis(2-arsonophenylazo)-1,8-dihydroxy-3,6-naphthalenedisulfonic acid
  • 2,7-Bis(2,2′-arsonophenylazo)-1,8-dihydroxynaphthalene-3,6-disulfonic acid
  • NSC 91528

Work with Arsenazo III

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

Chlorophosphonazo III1914-99-449 % similar Sodium 4,5-dihydroxy-3,6-bis[2-(2-sulfophenyl)diazenyl]-2,7-naphthalenedisulfonate (4:1)68504-35-849 % similar Thorin (chemistry)3688-92-449 % similar 2-Nitroso-1-naphthol-4-sulfonic acid3682-32-437 % similar Acid chrome blue K3270-25-535 % similar Calconcarboxylic acid3737-95-934 % similar 2-Amino-1-naphthol-4-sulfonic acid567-13-533 % similar Direct black 381937-37-733 % similar

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

Elsewhere

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