58245
Isatin-5-sulfonic acid sodium salt dihydrate
≥98.0%
Synonym(s):
Sodium isatin-5-sulfonate dihydrate
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About This Item
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
SMILES string
O.O.[Na+].[O-]S(=O)(=O)c1ccc2NC(=O)C(=O)c2c1
InChI key
QOAFLTFHMZZJFP-UHFFFAOYSA-M
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
Application
- Reactant for preparation of Orally Active Oxytocin Receptor Antagonists
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
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