ChemicalBook--->CAS DataBase List--->4918-96-1

4918-96-1

4918-96-1 Structure

4918-96-1 Structure
IdentificationBack Directory
[Name]

pyrocatechol sulfate
[CAS]

4918-96-1
[Synonyms]

pyrocatechol sulfate
catechol monosulfate
[Molecular Formula]

C6H6O5S
[MOL File]

4918-96-1.mol
[Molecular Weight]

190.17
Chemical PropertiesBack Directory
[density ]

1.669±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[form ]

solid
[pka]

-4.30±0.18(Predicted)
[color ]

white
[InChI]

1S/C6H6O5S/c7-5-3-1-2-4-6(5)11-12(8,9)10/h1-4,7H,(H,8,9,10)
[InChIKey]

MZPWKJZDOCIALD-UHFFFAOYSA-N
[SMILES]

[S](=O)(=O)(Oc1c(cccc1)O)O
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
Hazard InformationBack Directory
[Uses]

Metabolomics Research and Microbiome Research
[Definition]

ChEBI: Pyrocatechol sulfate is an aryl sulfate that is catechol with one of the two hydroxy groups substituted by a sulfo group. It has a role as a xenobiotic. It is an aryl sulfate and a member of phenols. It is functionally related to a catechol. It is a conjugate acid of a pyrocatechol sulfate(1-).
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