CAS 606-27-9

Methyl 2-nitrobenzoate

Description:

Methyl 2-nitrobenzoate, with the CAS number 606-27-9, is an organic compound belonging to the class of nitrobenzoates. It is characterized by the presence of a nitro group (-NO2) attached to the aromatic ring of benzoate, specifically at the second 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 2-nitrobenzoate is known for its aromatic odor and is soluble in organic solvents such as ethanol and ether, but has limited solubility in water. It is used in organic synthesis, particularly as an intermediate in the production of various pharmaceuticals and agrochemicals. The compound exhibits moderate toxicity and should be handled with care, following appropriate safety protocols. Its chemical structure allows for electrophilic substitution reactions, making it a valuable building block in synthetic organic chemistry.

Formula: C₈H₇NO₄

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

InChI key: InChIKey=AOXPHVNMBPFOFS-UHFFFAOYSA-N

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

Synonyms:

• 2-(Methoxycarbonyl)-1-nitrobenzene
• 2-(Methoxycarbonyl)nitrobenzene
• 2-Nitrobenzoic acid methyl ester
• Benzoic acid, 2-nitro-, methyl ester
• Benzoic acid, o-nitro-, methyl ester
• Methyl o-nitrobenzoate
• NSC 4136
• o-Nitrobenzoic acid methyl ester
• Methyl 2-nitrobenzoate

Methyl 2-nitrobenzoate, 98+%

CAS: 606-27-9

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Formula: C₈H₇NO₄

Purity: 98+%

Color and Shape: Clear colorless to yellow, Liquid

Molecular weight: 181.15

Ref: 02-B23009

Methyl 2-nitrobenzoate

CAS: 606-27-9

Formula: C₈H₇NO₄

Purity: 98%

Color and Shape: Liquid

Molecular weight: 181.1455

Ref: IN-DA003ROX

Methyl 2-nitrobenzoate

CAS: 606-27-9

Methyl 2-nitrobenzoate

Formula: C₈H₇NO₄

Purity: 98%

Molecular weight: 181.14548

Ref: 54-OR21315

Methyl 2-Nitrobenzoate

CAS: 606-27-9

Formula: C₈H₇NO₄

Purity: >98.0%(GC)

Color and Shape: Light orange to Yellow to Green clear liquid

Molecular weight: 181.15

Ref: 3B-N0158

Methyl 2-nitrobenzoate

CAS: 606-27-9

Methyl 2-nitrobenzoate

Formula: C₈H₇NO₄

Purity: 98%

Molecular weight: 181.15

Ref: IN-DG138358

Methyl 2-nitrobenzoate

CAS: 606-27-9

Methyl 2-nitrobenzoate is a nitro compound that has been used to synthesize benzyl esters. It has been shown to react with protonation and acidic conditions. Methyl 2-nitrobenzoate is also used as an intermediate in the synthesis of methyl anthranilate, which is a component of artificial grape flavoring. The mechanism of the reaction is not fully understood, but it has been proposed that methyl 2-nitrobenzoate undergoes an intramolecular hydrogen bond with the benzoate group to form an intermediate compound called N-methyl-2-(phenylmethyl)benzamide. This intermediate then reacts with methylamine to form methyl anthranilate. The molecule can be detected by gas chromatography or liquid chromatography in organic solvents such as methanol or acetone.

Formula: C₈H₇NO₄

Purity: Min. 95%

Color and Shape: Yellow Clear Liquid

Molecular weight: 181.15 g/mol

Ref: 3D-FM64260

Methyl 2-nitrobenzoate

CAS: 606-27-9

Formula: C₈H₇NO₄

Purity: 95%

Color and Shape: Liquid

Molecular weight: 181.147

Ref: 10-F329969