Cas no 98406-04-3 (methyl 3-chloro-5-hydroxy-benzoate)

Methyl 3-chloro-5-hydroxy-benzoate is a chlorinated hydroxybenzoate ester with applications in pharmaceutical and agrochemical synthesis. Its structure combines a chloro-substituted aromatic ring with a hydroxyl group and an ester functionality, offering versatility as an intermediate in organic synthesis. The presence of both electron-withdrawing (chloro) and electron-donating (hydroxy) groups enhances its reactivity in selective transformations, such as nucleophilic substitutions or coupling reactions. The methyl ester group improves solubility in organic solvents, facilitating further derivatization. This compound is particularly valued for its potential in constructing complex molecules, including bioactive compounds, due to its balanced reactivity and stability under controlled conditions. Proper handling is advised due to its potential irritant properties.
methyl 3-chloro-5-hydroxy-benzoate structure
98406-04-3 structure
Product Name:methyl 3-chloro-5-hydroxy-benzoate
CAS No:98406-04-3
MF:C8H7ClO3
MW:186.592381715775
MDL:MFCD12407235
CID:889491
PubChem ID:11480892
Update Time:2025-06-10

methyl 3-chloro-5-hydroxy-benzoate Chemical and Physical Properties

Names and Identifiers

    • 3-Chloro-5-hydroxybenzoic acid methyl ester
    • Methyl 3-chloro-5-hydroxybenzoate
    • 3-Chloro-5-hydroxy-benzoic acid methyl ester
    • methyl 3-chloro-5-hydroxy-benzoate
    • MFCD12407235
    • SB40350
    • METHYL3-CHLORO-5-HYDROXYBENZOATE
    • SCHEMBL5185978
    • AUILWNSXFXPDID-UHFFFAOYSA-N
    • FT-0741786
    • 98406-04-3
    • AS-47389
    • F13564
    • CS-0150830
    • AKOS022642334
    • Benzoic acid, 3-chloro-5-hydroxy-, methyl ester
    • SY275106
    • DTXSID60467211
    • DA-32709
    • MDL: MFCD12407235
    • Inchi: 1S/C8H7ClO3/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4,10H,1H3
    • InChI Key: AUILWNSXFXPDID-UHFFFAOYSA-N
    • SMILES: ClC1C=C(C=C(C(=O)OC)C=1)O

Computed Properties

  • Exact Mass: 186.0083718g/mol
  • Monoisotopic Mass: 186.0083718g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 172
  • 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: 2.5
  • Topological Polar Surface Area: 46.5?2

Experimental Properties

  • Density: 1.354
  • Melting Point: 133-135 oC
  • Boiling Point: 322 oC
  • Flash Point: 149 oC

methyl 3-chloro-5-hydroxy-benzoate Pricemore >>

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methyl 3-chloro-5-hydroxy-benzoate Suppliers

Beyond Pharmaceutical Co., Ltd
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(CAS:98406-04-3)3-Chloro-5-hydroxybenzoic acid methyl ester
Order Number:B228640
Stock Status:inquiry
Quantity:1g;10g;100g;1kg;bulk
Purity:98%
Pricing Information Last Updated:Tuesday, 28 October 2025 11:13
Price ($):inquiry

methyl 3-chloro-5-hydroxy-benzoate Related Literature

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Beyond Pharmaceutical Co., Ltd
(CAS:98406-04-3)3-Chloro-5-hydroxybenzoic acid methyl ester
B228640
Purity:98%
Quantity:1g;10g;100g;1kg;bulk
Price ($):Inquiry
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