Cas no 131755-87-8 (Methyl 4-amino-3,5-diiodobenzoate)

Methyl 4-amino-3,5-diiodobenzoate is a halogenated aromatic compound featuring an amino group and two iodine atoms at the 3- and 5-positions of the benzoate ring. This iodinated derivative exhibits high reactivity due to the electron-withdrawing effects of the iodine substituents, making it valuable in organic synthesis, particularly in cross-coupling reactions and as a building block for pharmaceuticals or advanced materials. The ester group enhances solubility in organic solvents, facilitating further functionalization. Its crystalline structure ensures stability and ease of purification. The compound's distinct iodine atoms also make it useful in radiolabeling applications or as a contrast agent precursor. Its well-defined structure allows precise modifications for targeted chemical transformations.
Methyl 4-amino-3,5-diiodobenzoate structure
131755-87-8 structure
Product Name:Methyl 4-amino-3,5-diiodobenzoate
CAS No:131755-87-8
MF:C8H7I2NO2
MW:402.955626726151
MDL:MFCD00010874
CID:1229084
PubChem ID:4171414
Update Time:2025-07-02

Methyl 4-amino-3,5-diiodobenzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 4-amino-3,5-diiodobenzoate
    • Methyl-3,5-diiodo-4-amino benzoate
    • METHYL 4-AMINO-3,5-DIIODO-BENZOATE
    • 4-AMINO-3,5-DIIODOBENZOIC ACID METHYL ESTER
    • BS-51179
    • MFCD00010874
    • SCHEMBL10355104
    • DTXSID20400240
    • CS-0215513
    • AKOS024419247
    • 131755-87-8
    • EN300-255597
    • methyl4-amino-3,5-diiodobenzoate
    • MDL： MFCD00010874
    • Inchi： 1S/C8H7I2NO2/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3H,11H2,1H3
    • InChI Key： WIVDOGOGDWWOFF-UHFFFAOYSA-N
    • SMILES： IC1C=C(C(=O)OC)C=C(C=1N)I

Computed Properties

  • Exact Mass: 402.85662g/mol
  • Monoisotopic Mass: 402.85662g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 189
  • 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: 2.4
  • Topological Polar Surface Area: 52.3?2

Methyl 4-amino-3,5-diiodobenzoate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
M286755-50mg
Methyl 4-Amino-3,5-diiodobenzoate
 131755-87-8
50mg
 $ 50.00 2022-06-04
TRC
M286755-100mg
Methyl 4-Amino-3,5-diiodobenzoate
 131755-87-8
100mg
 $ 65.00 2022-06-04
TRC
M286755-500mg
Methyl 4-Amino-3,5-diiodobenzoate
 131755-87-8
500mg
 $ 95.00 2022-06-04
abcr
AB481353-250 mg
Methyl 4-amino-3,5-diiodobenzoate; .
 131755-87-8
250MG
 €92.30 2023-04-20
abcr
AB481353-1 g
Methyl 4-amino-3,5-diiodobenzoate; .
 131755-87-8
1g
 €140.00 2023-04-20
abcr
AB481353-5 g
Methyl 4-amino-3,5-diiodobenzoate; .
 131755-87-8
5g
 €329.20 2023-04-20
Alichem
A013033829-250mg
Methyl 4-amino-3,5-diiodobenzoate
 131755-87-8 97%
250mg
 484.80 USD 2021-06-22
Alichem
A013033829-500mg
Methyl 4-amino-3,5-diiodobenzoate
 131755-87-8 97%
500mg
 806.85 USD 2021-06-22
Alichem
A013033829-1g
Methyl 4-amino-3,5-diiodobenzoate
 131755-87-8 97%
1g
 1,504.90 USD 2021-06-22
Enamine
EN300-255597-1g
methyl 4-amino-3,5-diiodobenzoate
 131755-87-8 95%
1g
 $142.0 2023-09-14

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