Xylenol orange tetrasodium salt

Base Information

• Chemical Name: Xylenol orange tetrasodium salt
• CAS No.: 3618-43-7
• Deprecated CAS: 116999-27-0,430434-38-1,1034528-17-0
• Molecular Formula: C31H28N2Na4O13S
• Molecular Weight: 760.58
• Hs Code.: 29349990
• DSSTox Substance ID: DTXSID80889471
• Wikidata: Q27887214
• Mol file: 3618-43-7.mol

Synonyms:Aceticacid,[3H-2,1-benzoxathiol-3-ylidenebis[(6-hydroxy-5-methyl-m-phenylene)methylenenitrilo]]tetra-,S,S-dioxide, tetrasodium salt (8CI);Glycine,N,N'-[(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[(6-hydroxy-5-methyl-3,1-phenylene)methylene]]bis[N-(carboxymethyl)-,tetrasodium salt (9CI);Glycine,N,N'-[3H-2,1-benzoxathiol-3-ylidenebis[(6-hydroxy-5-methyl-3,1-phenylene)methylene]]bis[N-(carboxymethyl)-,S,S-dioxide, tetrasodium salt;OmniPur-EDM;Xylene orange tetrasodium salt;o-Cresolphthalexon-S tetrasodium salt;

Chemical Property of Xylenol orange tetrasodium salt

Chemical Property:

• Appearance/Colour: red-brown to purple crystalline powder
• Melting Point: 195 °C (dec.)(lit.)
• Boiling Point: 904.1oC at 760 mmHg
• Flash Point: 500.6oC
• PSA: 259.21000
• LogP: -3.29590
• Storage Temp.: Store at +15°C to +25°C.
• Solubility.: 510g/l
• Water Solubility.: 510 g/L (20 ºC)
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 10
• Exact Mass: 760.09028725
• Heavy Atom Count: 51
• Complexity: 1150

Purity/Quality:

98%,99%, ^*data from raw suppliers

Xylenol orange tetrasodium salt ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 23/24/25-36/38-36/37/38
• Safety Statements: 24/25-45-36/37-26-22-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Dyes -> Indicator Dyes
• Canonical SMILES: CC1=CC(=CC(=C1O)CN(CC(=O)[O-])CC(=O)[O-])C2(C3=CC=CC=C3OS2(=O)=O)C4=CC(=C(C(=C4)C)O)CN(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Na+]
• Uses: Xylenol Orange tetrasodium salt is used as a photometric reagent and a metal indicator. It is a versatile indicator for EDTA titrations in acidic range. It is a common organic reagent used as an indicator for metal titrations.