CAS 3095-50-9
:Ethyl 3,5-dimethyl-4-nitrobenzoate
Description:
Ethyl 3,5-dimethyl-4-nitrobenzoate, with the CAS number 3095-50-9, is an organic compound belonging to the class of benzoates. It features a benzoic acid derivative where the carboxylic acid group is esterified with ethanol, resulting in an ethyl ester. The molecule is characterized by the presence of a nitro group (-NO2) and two methyl groups (-CH3) on the aromatic ring, specifically at the 3 and 5 positions relative to the nitro substituent at the 4 position. This substitution pattern contributes to its chemical reactivity and physical properties. Ethyl 3,5-dimethyl-4-nitrobenzoate is typically a yellow to orange crystalline solid, exhibiting moderate solubility in organic solvents such as ethanol and acetone, while being less soluble in water. It is often used in organic synthesis and may serve as an intermediate in the production of various pharmaceuticals and agrochemicals. As with many nitro compounds, it may pose certain health and environmental risks, necessitating careful handling and disposal.
Formula:C11H13NO4
InChI:InChI=1S/C11H13NO4/c1-4-16-11(13)9-5-7(2)10(12(14)15)8(3)6-9/h5-6H,4H2,1-3H3
InChI key:InChIKey=LXHYBLDIIOAWLA-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C1=CC(C)=C(N(=O)=O)C(C)=C1
Synonyms:- 3,5-Dimethyl-4-nitrobenzoic acid ethyl ester
- Ethyl 3,5-dimethyl-4-nitrobenzoate
- Benzoic acid, 3,5-dimethyl-4-nitro-, ethyl ester
Sort by
Purity (%)
0
100
|
0
|
50
|
90
|
95
|
100
Found 1 products.
