CAS 40872-87-5

3-amino-4-chlorobenzoic acid methylester

Description:

3-Amino-4-chlorobenzoic acid methyl ester, with the CAS number 40872-87-5, is an organic compound characterized by its aromatic structure, which includes a benzoic acid moiety substituted with an amino group and a chlorine atom. This compound typically appears as a white to off-white solid and is soluble in organic solvents such as methanol and ethanol, but may have limited solubility in water due to its hydrophobic aromatic ring. The presence of the amino group imparts basic properties, while the carboxylic acid derivative contributes to its acidic characteristics. This compound is often utilized in organic synthesis and pharmaceutical research, serving as an intermediate in the production of various bioactive molecules. Its reactivity can be attributed to the functional groups present, allowing for further derivatization or coupling reactions. Safety data should be consulted for handling, as with many chemical substances, to ensure proper precautions are taken during use.

Formula: C₈H₈ClNO₂

InChI: InChI=1/C8H8ClNO2/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4H,10H2,1H3

InChI key: LOCJPOYKBUUVKU-UHFFFAOYSA-N

SMILES: COC(=O)c1ccc(c(c1)N)Cl

Synonyms:

• Methyl 3-Amino-4-Chlorobenzoate
• Methyl 3-Amino-4-chlorobenzene

Methyl 3-Amino-4-chlorobenzoate

CAS: 40872-87-5

Formula: C₈H₈ClNO₂

Purity: >98.0%(GC)(T)

Color and Shape: White to Light yellow powder to crystal

Molecular weight: 185.61

Ref: 3B-M1778

Methyl 3-amino-4-chlorobenzoate

CAS: 40872-87-5

Methyl 3-amino-4-chlorobenzoate

Formula: C₈H₈ClNO₂

Purity: ≥95%

Color and Shape: Solid-Powder

Molecular weight: 185.60762

Ref: 54-OR2041

Methyl 3-amino-4-chlorobenzoate

CAS: 40872-87-5

Formula: C₈H₈ClNO₂

Purity: 96%

Color and Shape: Solid

Molecular weight: 185.6076

Ref: IN-DA00BXYI

Methyl 3-amino-4-chlorobenzoate

CAS: 40872-87-5

Methyl 3-amino-4-chlorobenzoate

Formula: C₈H₈ClNO₂

Purity: 97%

Molecular weight: 185.61

Ref: IN-DG6304

Methyl 3-amino-4-chlorobenzoate

CAS: 40872-87-5

Formula: C₈H₈ClNO₂

Purity: 96%

Color and Shape: Solid

Molecular weight: 185.61

Ref: 10-F040397

Methyl 3-amino-4-chlorobenzoate

CAS: 40872-87-5

Methyl 3-amino-4-chlorobenzoate is an analog of 3-amino-4-chlorobenzoic acid. It is a multidrug that can cross the blood brain barrier and has been shown to have cytotoxic activity in vitro. Methyl 3-amino-4-chlorobenzoate has been postulated as a possible organometallic compound and may be synthesized through a chemical diversity approach. The chloride ion, which is present in methyl 3-amino-4-chlorobenzoate, has been shown to decrease the toxicity of nitrobenzoic acid, making this compound resistant to nitrosation reactions.

Formula: C₈H₈ClNO₂

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 185.61 g/mol

Ref: 3D-FM70663