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Key Documents

58245

Sigma-Aldrich

Isatin-5-sulfonic acid sodium salt dihydrate

≥98.0%

Synonym(s):

Sodium isatin-5-sulfonate dihydrate

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About This Item

Empirical Formula (Hill Notation):
C8H4NNaO5S · 2H2O
CAS Number:
Molecular Weight:
285.21
Beilstein:
8398337
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Assay

≥98.0%

form

solid

composition

carbon content, 33.0-34.4%
sulfur, 11.0-11.5 ICP

impurities

6-13% water

mp

≥300 °C (lit.)

functional group

ketone
sulfonic acid

SMILES string

O.O.[Na+].[O-]S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1

InChI

1S/C8H5NO5S.Na.2H2O/c10-7-5-3-4(15(12,13)14)1-2-6(5)9-8(7)11;;;/h1-3H,(H,9,10,11)(H,12,13,14);;2*1H2/q;+1;;/p-1

InChI key

QOAFLTFHMZZJFP-UHFFFAOYSA-M

Application

  • Reactant for preparation of Orally Active Oxytocin Receptor Antagonists

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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