2,4,6-Trihydroxybenzoic acid monohydrate

Base Information

• Chemical Name: 2,4,6-Trihydroxybenzoic acid monohydrate
• CAS No.: 71989-93-0
• Molecular Formula: C7H6O5.H2O
• Molecular Weight: 188.13
• Hs Code.: 29182900
• European Community (EC) Number: 629-587-7
• DSSTox Substance ID: DTXSID80369102
• Mol file: 71989-93-0.mol

Synonyms:71989-93-0;2,4,6-trihydroxybenzoic acid hydrate;2,4,6-Trihydroxybenzoic acid monohydrate;MFCD00149095;2,4,6-trihydroxybenzoic acid;hydrate;Benzoic acid, 2,4,6-trihydroxy-, monohydrate;2,4,6-TRIHYDROXYBENZOICACIDMONOHYDRATE;2,4,6-trihydroxybenzoate;SCHEMBL1285656;DTXSID80369102;2,4,6-trihydroxybenzoicacidhydrate;AKOS005259190;CS-W016825;GS-3666;SY012982;2,4,6-Trihydroxybenzoic Acid Monohydrate;FT-0696144;H10169;2,4,6-Trihydroxybenzoic acid monohydrate, technical, >=90% (T);2,4,6-Trihydroxybenzoic acid monohydrate, technical grade, 90%, predominantly 1,3,5-benzenetriol

Chemical Property of 2,4,6-Trihydroxybenzoic acid monohydrate

Chemical Property:

• Appearance/Colour: light beige micro-crystalline powder
• Vapor Pressure: 4.93E-08mmHg at 25°C
• Melting Point: ~205 °C (dec.)(lit.)
• Boiling Point: 426.5 °C at 760 mmHg
• Flash Point: 225.9 °C
• PSA: 107.22000
• LogP: 0.43730
• Storage Temp.: Inert atmosphere,Room Temperature
• Water Solubility.: Soluble in water.
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 188.03208797
• Heavy Atom Count: 13
• Complexity: 169

Purity/Quality:

98% ^*data from raw suppliers

2,4,6-Trihydroxybenzoicacidhydrate ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1O)C(=O)O)O)O.O
• Uses: 2,4,6-Trihydroxybenzoic acid monohydrate is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff fields.