Cas no 2694-06-6 (2,3,6-Trichlorobenzoic acid methyl ester)

2,3,6-Trichlorobenzoic acid methyl ester is a chlorinated aromatic ester with applications in organic synthesis and agrochemical research. Its structure, featuring three chlorine substituents on the benzoic acid ring, enhances its reactivity and utility as an intermediate in the preparation of herbicides and other specialty chemicals. The methyl ester group improves solubility in organic solvents, facilitating further derivatization. This compound is valued for its stability and selective reactivity, making it suitable for controlled functionalization in synthetic pathways. Proper handling is required due to its potential toxicity and environmental persistence. It is typically used in research settings under controlled conditions.
2,3,6-Trichlorobenzoic acid methyl ester structure
2694-06-6 structure
Product Name:2,3,6-Trichlorobenzoic acid methyl ester
CAS No:2694-06-6
MF:C8H5Cl3O2
MW:239.48309969902
CID:914662
PubChem ID:610661
Update Time:2025-06-10

2,3,6-Trichlorobenzoic acid methyl ester Chemical and Physical Properties

Names and Identifiers

    • 2,3,6-Trichlorobenzoic acid methyl ester
    • 2,3,6-Trichlorobenzoic acid methyl ester;Methyl benzoate, 2,3,6-trichloro
    • AKOS017259426
    • EN300-5082613
    • Methyl 2,3,6-trichlorobenzoate
    • 2694-06-6
    • Methyl 2,3,6-trichlorobenzoate #
    • 5JM9JLC9LT
    • DTXSID50346248
    • Methyl benzoate, 2,3,6-trichloro
    • Benzoic acid, 2,3,6-trichloro-, methyl ester
    • OAWDHDKEHFFNQQ-UHFFFAOYSA-N
    • Inchi： 1S/C8H5Cl3O2/c1-13-8(12)6-4(9)2-3-5(10)7(6)11/h2-3H,1H3
    • InChI Key： OAWDHDKEHFFNQQ-UHFFFAOYSA-N
    • SMILES： ClC1C(=CC=C(C=1C(=O)OC)Cl)Cl

Computed Properties

  • Exact Mass: 237.93565
  • Monoisotopic Mass: 237.935512g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 198
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.4
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • PSA: 26.3

2,3,6-Trichlorobenzoic acid methyl ester Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
EN300-5082613-0.05g
methyl 2,3,6-trichlorobenzoate
 2694-06-6
0.05g
 $174.0 2023-05-25
Enamine
EN300-5082613-0.1g
methyl 2,3,6-trichlorobenzoate
 2694-06-6
0.1g
 $257.0 2023-05-25
Enamine
EN300-5082613-0.25g
methyl 2,3,6-trichlorobenzoate
 2694-06-6
0.25g
 $367.0 2023-05-25
Enamine
EN300-5082613-0.5g
methyl 2,3,6-trichlorobenzoate
 2694-06-6
0.5g
 $579.0 2023-05-25
Enamine
EN300-5082613-1.0g
methyl 2,3,6-trichlorobenzoate
 2694-06-6
1g
 $743.0 2023-05-25
Enamine
EN300-5082613-2.5g
methyl 2,3,6-trichlorobenzoate
 2694-06-6
2.5g
 $1454.0 2023-05-25
Enamine
EN300-5082613-5.0g
methyl 2,3,6-trichlorobenzoate
 2694-06-6
5g
 $2152.0 2023-05-25
Enamine
EN300-5082613-10.0g
methyl 2,3,6-trichlorobenzoate
 2694-06-6
10g
 $3191.0 2023-05-25
1PlusChem
1P00BW49-50mg
METHYL 2,3,6-TRICHLOROBENZOATE
 2694-06-6 95%
50mg
 $269.00 2024-05-08
1PlusChem
1P00BW49-100mg
METHYL 2,3,6-TRICHLOROBENZOATE
 2694-06-6 95%
100mg
 $369.00 2024-05-08

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