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58245 Sigma-Aldrich

Isatin-5-sulfonic acid sodium salt dihydrate

≥98.0%

Synonym: Sodium isatin-5-sulfonate dihydrate

  • CAS Number 207399-16-4

  • Empirical Formula (Hill Notation) C8H4NNaO5S · 2H2O

  • Molecular Weight 285.21

  •  Beilstein/REAXYS Number 8398337

  •  MDL number MFCD00192236

  •  PubChem Substance ID 57651649

  •  NACRES NA.22

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Properties

Related Categories Building Blocks, C7 to C9, Chemical Synthesis, Heterocyclic Building Blocks, Indoles More...
assay   ≥98.0%
  11.0-11.5 sulfur basis (ICP)
composition   carbon content, 33.0-34.4%
impurities   6-13% water
mp   ≥300 °C (lit.)
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

Description

Application

• Reactant for preparation of Orally Active Oxytocin Receptor Antagonists

Packaging

5 g in poly bottle

Safety & Documentation

Safety Information

Symbol 
GHS07  GHS07
Signal word 
Warning
Hazard statements 
Precautionary statements 
Personal Protective Equipment 
RIDADR 
NONH for all modes of transport
WGK Germany 
3
RTECS 
NM1881820

Documents

Certificate of Analysis (COA)

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