structure of Methyl 2-chloro-6-methylbenzoate

Methyl 2-chloro-6-methylbenzoate

CAS No.: 99585-14-5
M. Wt: 184.62000
M. Fa: C9H9ClO2
InChI Key: RYUYMMGUQYRLQX-UHFFFAOYSA-N
Appearance: Pale-yellow Liquid

Names and Identifiers of Methyl 2-chloro-6-methylbenzoate

CAS Number

99585-14-5

MDL Number

MFCD06204147

IUPAC Name

methyl 2-chloro-6-methylbenzoate

InChI

InChI=1S/C9H9ClO2/c1-6-4-3-5-7(10)8(6)9(11)12-2/h3-5H,1-2H3

InChIKey

RYUYMMGUQYRLQX-UHFFFAOYSA-N

Canonical SMILES

CC1=C(C(=CC=C1)Cl)C(=O)OC

UNII

B2ZE69LTN6

UNSPSC Code

12352100

Physical and chemical properties of Methyl 2-chloro-6-methylbenzoate

Exact Mass

184.02900

LogP

2.43500

Molecular Formula

C9H9ClO2

Molecular Weight

184.62000

PSA

26.30000

Safety Information of Methyl 2-chloro-6-methylbenzoate

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Applications of Methyl 2-chloro-6-methylbenzoate

Methyl 2-chloro-6-methylbenzoate finds applications in various domains:

  • Pharmaceuticals: It serves as an intermediate in the synthesis of biologically active compounds.
  • Agrochemicals: Potential use as a pesticide or herbicide due to its structural characteristics.
  • Organic Synthesis: Utilized as a building block in the synthesis of more complex organic molecules.

Its unique properties make it valuable for research and industrial applications.

Physical sample testing spectrum (NMR) of Methyl 2-chloro-6-methylbenzoate

Physical sample testing spectrum (NMR) of Methyl 2-chloro-6-methylbenzoate

Retrosynthesis analysis of Methyl 2-chloro-6-methylbenzoate

  • Route#1

    Cas:21327-86-6
    Cas:99585-14-5

  • Route#2

    Cas:21327-86-6
    Cas:77-78-1
    Cas:99585-14-5

  • Route#3

    Cas:21327-86-6
    Cas:74-88-4
    Cas:99585-14-5