Xylenol orange

Base Information

• Chemical Name: Xylenol orange
• CAS No.: 1611-35-4
• Deprecated CAS: 59764-31-7,6905-79-9,3117-46-2,6905-79-9
• Molecular Formula: C31H32 N2 O13 S
• Molecular Weight: 672.667
• Hs Code.: 29349990
• European Community (EC) Number: 216-553-8
• NSC Number: 324982
• UNII: S2VDY878QD
• DSSTox Substance ID: DTXSID1061819
• Nikkaji Number: J10.577E
• Wikipedia: Xylenol_orange
• Wikidata: Q286281
• Mol file: 1611-35-4.mol

Synonyms:xylenol orange

Chemical Property of Xylenol orange

Chemical Property:

• Appearance/Colour: BROWN CRYSTALS, POWDER OR XTAL PWD
• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 72-76 °C(lit.)
• Refractive Index: 1.674
• Boiling Point: 895.1 °C at 760 mmHg
• PKA: 2.6, 6.4, 6.5, 10.5, 12.3(at 25℃)
• Flash Point: 495.1 °C
• PSA: 247.89000
• Density: 1.564 g/cm³
• LogP: 2.74860
• Storage Temp.: -20°C
• Solubility.: Solubility Soluble in water, ethanol
• XLogP3: -2.8
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 14
• Exact Mass: 672.16251025
• Heavy Atom Count: 47
• Complexity: 1170

Purity/Quality:

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

XDH ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-41-43
• Safety Statements: 26-39-24/25

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=C3S(=O)(=O)O2)C4=CC(=C(C(=C4)C)O)CN(CC(=O)O)CC(=O)O
• Uses: Xylenol Orange is used in method for detecting main content of tungsten oxide.