2,2′-Benzidinedisulfonic acid

C₁₂H₁₂N₂O₆S₂CAS 117-61-3344.36 g/mol

Open in Covalent MOL file

Primary amine Sulfonic acid

Properties

Molecular formula: C₁₂H₁₂N₂O₆S₂
Molar mass: 344.36 g/mol
Exact mass: 344.0137 Da
Melting point: 168 °C
Water solubility: < 1 g/L (20 °C)
logP: 1.01Crippen estimate
Polar surface area: 160.8 Å²
H-bond donors / acceptors: 4 / 6
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation10.5% of notifiers
H319 Causes serious eye irritation12.3% of notifiers
H351 Suspected of causing cancer68.4% of notifiers

Aggregated from 57 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P264, P264+P265, P280, P302+P352, P305+P351+P338, P318, P321, P332+P317, P337+P317, P362+P364, P405, P501

Identifiers

CAS number

117-61-3

SMILES

Nc1ccc(-c2ccc(N)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1

InChIKey

MBJAPGAZEWPEFB-UHFFFAOYSA-N

InChI

InChI=1S/C12H12N2O6S2/c13-7-1-3-9(11(5-7)21(15,16)17)10-4-2-8(14)6-12(10)22(18,19)20/h1-6H,13-14H2,(H,15,16,17)(H,18,19,20)

Weigh it out

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

Names and synonyms

13 names · show all

[1,1′-Biphenyl]-2,2′-disulfonic acid, 4,4′-diamino-
2,2′-Biphenyldisulfonic acid, 4,4′-diamino-
4,4′-Diamino[1,1′-biphenyl]-2,2′-disulfonic acid
2,2′-Disulfobenzidine
6,6′-Bimetanilic acid
4,4′-Diaminobiphenyl-2,2′-disulfonic acid
4,4′-Diaminodiphenyl-2,2′-disulfonic acid
2,2′-Disulfo-4,4′-diaminobiphenyl
NSC 3763
4,4′-Diaminobiphenyl-2,2′-bis(sulfonic acid)
4,4′-Benzidine-2,2′-disulfonic acid
4,4′-Diamino-[1,1′-biphenyl]-2,2′-disulfonic acid
2,2'-Benzidinedisulfonic acid

Work with 2,2′-Benzidinedisulfonic acid

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

2,5-Diaminobenzenesulfonic acid88-45-970 % similar 5-Amino-2-methylbenzenesulfonic acid118-88-766 % similar 4,4′-Diamino-2,2′-stilbenedisulfonic acid81-11-866 % similar 5-Amino-2-chlorobenzenesulfonic acid88-43-766 % similar 2,4-Diaminobenzenesulfonic acid88-63-165 % similar 2,5-Diamino-1,3-benzenedisulfonic acid6409-48-960 % similar 5-Amino-2-methoxybenzenesulfonic acid6470-17-360 % similar 4,4′-Diaminodiphenylamine-2-sulfonic acid119-70-058 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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