2,4,5-Trimethoxybenzaldehyde

For Research Use Only.
Category
Phenols
Cat.No.
NP5226
CAS
4460-86-0
Product Name
2,4,5-Trimethoxybenzaldehyde
Structure

Product Details

Description
A natural COX-2 inhibitor, exhibiting 17-fold selectivity over COX-1.
Synonyms
2,4,5-trimethoxybenzaldehyde
IUPAC Name
2,4,5-trimethoxybenzaldehyde
Molecular Weight
196.20
Molecular Formula
C10H12O4
Canonical SMILES
COC1=CC(=C(C=C1C=O)OC)OC
InChI
InChI=1S/C10H12O4/c1-12-8-5-10(14-3)9(13-2)4-7(8)6-11/h4-6H,1-3H3
InChIKey
IAJBQAYHSQIQRE-UHFFFAOYSA-N
Boiling Point
140 °C
Melting Point
113-115 °C
Flash Point
149°C
Purity
> 98 %
Density
1.133 g/cm3
Solubility
DMSO 39 mg/mL (198.77 mM); Ethanol 16 mg/mL (81.54 mM)
Appearance
White solid
Application
2,4,5-Trimethoxybenzaldehyde is used in the synthesis of stilbene and hydrostibene derivatives as potential anticancer agents, inhibiting tubulin. Also used in the synthesis of HIV-RT inhibitors.
Storage
3 years -20 °C powder;6 months-80 °C in solvent
Form
Powder
Hazard Codes
C
HS Code
2912499000
MDL
MFCD00003312
Refractive Index
1.524
Risk Statements
R36/37/38
RTECS
CU8460000
Safety Statements
S24/25
Stability
Stable under normal temperatures and pressures.
Vapor Pressure
0.00113 [mmHg]
WGK Germany
3
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