3,4,5-Trihydroxybenzaldehyde hydrate

Base Information

• Chemical Name: 3,4,5-Trihydroxybenzaldehyde hydrate
• CAS No.: 207742-88-9
• Molecular Formula: C7H6O4^.H2O
• Molecular Weight: 172.13
• Hs Code.: 2918290000
• European Community (EC) Number: 626-905-6
• DSSTox Substance ID: DTXSID90583473
• Mol file: 207742-88-9.mol

Synonyms:3,4,5-trihydroxybenzaldehyde hydrate;207742-88-9;3,4,5-Trihydroxybenzaldehyde monohydrate;3,4,5-trihydroxybenzaldehyde;hydrate;Benzaldehyde, 3,4,5-trihydroxy-, hydrate (1:1);MFCD00149124;SCHEMBL36578;DTXSID90583473;2-(2-phenylaziridin-1-yl)ethanol;3,4,5-trihydroxybenzaldehydehydrate;AKOS015889888;DS-5295;A2935;CS-0157695;3,4,5-Trihydroxybenzaldehyde--water (1/1);3,4,5-Trihydroxybenzaldehyde monohydrate, 98%;A814872;J-511112

Chemical Property of 3,4,5-Trihydroxybenzaldehyde hydrate

Chemical Property:

• Vapor Pressure: 5.29E-09mmHg at 25°C
• Melting Point: 218 °C (dec.)
• Boiling Point: 453.2 °C at 760 mmHg
• Flash Point: 227.9 °C
• PSA: 86.99000
• LogP: 0.55160
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 172.03717335
• Heavy Atom Count: 12
• Complexity: 135

Purity/Quality:

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

3,4,5-TrihydroxybenzaldehydeHydrate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1O)O)O)C=O.O
• Uses: 3,4,5-Trihydroxybenzaldehyde monohydrate may be used in chemical synthesis.