CAS 1126-46-1

Methyl 4-chlorobenzoate

Description:

Methyl 4-chlorobenzoate is an organic compound characterized by its ester functional group, derived from benzoic acid and methanol, with a chlorine substituent at the para position of the aromatic ring. Its molecular formula is C8H8ClO2, and it features a methyl group attached to the carboxylate portion of the benzoate. This compound typically appears as a colorless to pale yellow liquid with a sweet, floral odor. Methyl 4-chlorobenzoate is moderately soluble in organic solvents like ethanol and ether but has limited solubility in water due to its hydrophobic aromatic structure. It is primarily used in organic synthesis and as an intermediate in the production of pharmaceuticals, agrochemicals, and fragrances. The presence of the chlorine atom enhances its reactivity, making it useful in various chemical reactions, including nucleophilic substitutions. Safety precautions should be taken when handling this compound, as it may pose health risks if inhaled or ingested, and appropriate personal protective equipment should be used.

Formula: C₈H₇ClO₂

InChI: InChI=1/C8H7ClO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3

InChI key: InChIKey=LXNFVVDCCWUUKC-UHFFFAOYSA-N

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

Synonyms:

• 4-(Methoxycarbonyl)chlorobenzene
• 4-Carbomethoxyphenyl chloride
• 4-Chlorobenzoic acid methyl ester
• 4-Chlorophenylcarboxylic acid methyl ester
• 5-Chloro-2-benzoic acid methyl ester
• Benzoic acid, 4-chloro-, methyl ester
• Benzoic acid, p-chloro-, methyl ester
• Methyl p-chlorobenzoate
• NSC 8366
• p-Chlorobenzoic acid methyl ester
• Methyl 4-chlorobenzoate
• 4-chloro-benzoicacimethylester
• 4-Chlorobenzoic acid methyl
• RARECHEM AL BF 0077

Methyl 4-Chlorobenzoate

CAS: 1126-46-1

Formula: C₈H₇ClO₂

Purity: >98.0%(GC)

Color and Shape: White to Orange to Green powder to crystal

Molecular weight: 170.59

Ref: 3B-C1625

Methyl 4-chlorobenzoate, 99%

CAS: 1126-46-1

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 reference has not changed as a part of the brand transition to Thermo Sci

Formula: C₈H₇ClO₂

Purity: 99%

Color and Shape: Colorless to white to pale cream to pale yellow, Crystals or powder or crystalline powder or chunks or fused solid

Molecular weight: 170.6

Ref: 02-A10109

Decitabine Related Compound D (Methyl 4-chlorobenzoate)

CAS: 1126-46-1

Aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacid and their derivatives not elsewhere specified or included

Formula: C₈H₇ClO₂

Color and Shape: White Yellow Powder

Molecular weight: 170.01346

Ref: 45-1165248

4-Chlorobenzoic Acid Methyl Ester

CAS: 1126-46-1

Formula: C₈H₇ClO₂

Purity: 98%

Color and Shape: Liquid

Molecular weight: 170.5930

Ref: IN-DA0033ZX

Decitabine USP Related Compound D

CAS: 1126-46-1

Formula: C₈H₇ClO₂

Color and Shape: White To Off-White Solid

Molecular weight: 170.59

Ref: 4Z-D-7724

Methyl 4-Chlorobenzoate

CAS: 1126-46-1

Color and Shape: Neat

Ref: 86-MM0250.05

methyl 4-chlorobenzoate

CAS: 1126-46-1

methyl 4-chlorobenzoate

Formula: C₈H₇ClO₂

Purity: 99%

Color and Shape: Solid

Molecular weight: 170.59298

Ref: 54-OR30145

Methyl 4-chlorobenzoate

CAS: 1126-46-1

Methyl 4-chlorobenzoate is a synthetic chemical that belongs to the group of phenyl compounds. It is a solvent for organic solvents and has been shown to be toxic to humans. Methyl 4-chlorobenzoate is used in various industrial applications, such as in the production of pesticides, herbicides, and pharmaceuticals. Methyl 4-chlorobenzoate can also be used as an intermediate for the synthesis of other chemicals, such as chlorinated hydrocarbons. This chemical has been reported to cause environmental pollution and has been classified as a carcinogen by the International Agency for Research on Cancer (IARC).

Formula: C₈H₇ClO₂

Purity: Min. 98.5%

Color and Shape: White Powder

Molecular weight: 170.59 g/mol

Ref: 3D-FM31826

Methyl 4-chlorobenzoate

CAS: 1126-46-1

Formula: C₈H₇ClO₂

Purity: 98%

Color and Shape: Solid, Chunks or Crystalline Powder

Molecular weight: 170.59

Ref: 10-F018826

Methyl 4-Chlorobenzoate

Controlled Product

CAS: 1126-46-1

Applications Methyl 4-Chlorobenzoate is a reactant used in the synthesis of ataxia-telangiectasia mutated (ATM) kinase, a target for novel radiosensitizing agents. As well, used as a reactant in the synthesis of aminopyridine functionalized polyacrylonitrile fibers.
References Min, J. et al.: J. Med. Chem., 59, 559 (2016);

Formula: C₈H₇ClO₂

Color and Shape: Neat

Molecular weight: 170.593

Ref: TR-M272330

Decitabine USP Related Compound D

CAS: 1126-46-1

Formula: C₈H₇ClO₂

Molecular weight: 170.6

Ref: ST-EA-CP-D12009