4-Formyl-1,3-benzenedisulfonic acid

C₇H₆O₇S₂CAS 88-39-1266.24 g/mol

Open in Covalent MOL file

Aldehyde Sulfonic acid

Properties

Molecular formula: C₇H₆O₇S₂
Molar mass: 266.24 g/mol
Exact mass: 265.9555 Da
logP: -0.01Crippen estimate
Polar surface area: 125.8 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 3

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers

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

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number

88-39-1

SMILES

O=Cc1ccc(S(=O)(=O)O)cc1S(=O)(=O)O

InChIKey

PQYVGRGYAZDHFY-UHFFFAOYSA-N

InChI

InChI=1S/C7H6O7S2/c8-4-5-1-2-6(15(9,10)11)3-7(5)16(12,13)14/h1-4H,(H,9,10,11)(H,12,13,14)

Weigh it out

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

Names and synonyms

6 names

1,3-Benzenedisulfonic acid, 4-formyl-
m-Benzenedisulfonic acid, 4-formyl-
2,4-Disulfobenzaldehyde
Benzaldehyde-2,4-disulfonic acid
4-Formyl-1,3-disulfobenzene
4-Formyl benzene-1,3-disodium disulfonate

Work with 4-Formyl-1,3-benzenedisulfonic 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

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.

Disodium 4-formyl-1,3-benzenedisulfonate33513-44-9Salt

Similar compounds

4-Formylbenzenesulfonic acid5363-54-255 % similar Aniline-2,4-disulfonic acid137-51-954 % similar 2,6-Naphthalenedisulfonic acid581-75-950 % similar 2-Amino-1,4-benzenedisulfonic acid98-44-250 % similar 2,7-Naphthalenedisulfonic acid92-41-148 % similar 4,4′-Diamino-2,2′-stilbenedisulfonic acid81-11-847 % similar 4,4′-Dinitro-2,2′-stilbenedisulfonic acid128-42-746 % similar 3-Amino-4-hydroxybenzenesulfonic acid98-37-345 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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