CAS 618-95-1

Methyl 3-nitrobenzoate

Description:

Methyl 3-nitrobenzoate is an organic compound with the molecular formula C9H9N O4. It is classified as an aromatic ester, derived from benzoic acid and methanol, with a nitro group positioned at the meta position relative to the ester functional group. This compound typically appears as a pale yellow liquid or solid, depending on the temperature and purity. Methyl 3-nitrobenzoate is known for its characteristic sweet, floral odor, making it useful in the fragrance industry. It is moderately soluble in organic solvents like ethanol and ether but has limited solubility in water due to its hydrophobic aromatic structure. The compound is often used in organic synthesis, particularly in the preparation of various pharmaceuticals and agrochemicals. Additionally, it exhibits properties that can be exploited in chemical reactions, such as electrophilic aromatic substitution. Safety precautions should be taken when handling this substance, as it may pose health risks if ingested or inhaled, and appropriate personal protective equipment should be used.

Formula: C₈H₇NO₄

InChI: InChI=1S/C8H7NO4/c1-13-8(10)6-3-2-4-7(5-6)9(11)12/h2-5H,1H3

InChI key: InChIKey=AXLYJLKKPUICKV-UHFFFAOYSA-N

SMILES: C(OC)(=O)C1=CC(N(=O)=O)=CC=C1

Synonyms:

• 3-Methoxycarbonyl-1-nitrobenzene
• 3-Nitrobenzoic acid methyl ester
• 4-Methyl-3-nitrobenzoate
• Benzoic acid, 3-nitro-, methyl ester
• Benzoic acid, m-nitro-, methyl ester
• Methyl 3-Nitrobenzoic Acid
• Methyl 3-nitrobenzoate/3-Nitrobenzoic acid methyl ester
• Methyl m-nitrobenzoate
• NSC 1327
• m-Carbomethoxynitrobenzene
• m-Nitrobenzoic acid methyl ester

Methyl 3-Nitrobenzoate

CAS: 618-95-1

Formula: C₈H₇NO₄

Purity: >98.0%(GC)

Color and Shape: White to Light yellow powder to crystal

Molecular weight: 181.15

Ref: 3B-N0157

Methyl 3-nitrobenzoate, 98+%

CAS: 618-95-1

Methyl 3-nitrobenzoate was used in the preparation of iodoarene. This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU referenc

Formula: C₈H₇NO₄

Purity: 98+%

Color and Shape: White to cream or pale yellow, Crystalline powder

Molecular weight: 181.15

Ref: 02-A15155

Methyl 3-nitrobenzoate

CAS: 618-95-1

Formula: C₈H₇NO₄

Purity: 95%

Color and Shape: Solid

Molecular weight: 181.1455

Ref: IN-DA003RT6

Methyl 3-nitrobenzoate

CAS: 618-95-1

Methyl 3-nitrobenzoate

Purity: 99%

Molecular weight: 181.15g/mol

Ref: 54-OR79285

3-Nitrobenzoic acid methyl ester

CAS: 618-95-1

3-Nitrobenzoic acid methyl ester is an organic compound that contains a hydroxyl group and a nitro group. It can be synthesized by the reaction of 3-nitrophenol and methanol in a solvent such as water or ethanol. The nitro group is important for the solvating power of this molecule, which has been shown to have approximations with other molecules. 3-Nitrobenzoic acid methyl ester is found in two different forms: the cis form and the trans form, which differ in the orientation of their nitro groups. The cis form is more stable than the trans form because it has a dipole moment. The vibrational frequencies are also higher for the cis form than for its trans counterpart. 3-Nitrobenzoic acid methyl ester has been shown to react with nintedanib, which is used to treat cancer, and inhibit kinetics. The kinetic data obtained from this study can

Formula: C₈H₇NO₄

Purity: (Gc) Min. 98%

Color and Shape: Powder

Molecular weight: 181.15 g/mol

Ref: 3D-FN106360

3-Nitrobenzoic acid methyl ester

CAS: 618-95-1

Formula: C₈H₇NO₄

Purity: 98%

Color and Shape: Solid

Molecular weight: 181.147

Ref: 10-F091524

Lenalidomide Impurity 51

CAS: 618-95-1

Formula: C₈H₇NO₄

Molecular weight: 181.15

Ref: ST-EA-CP-L27051