Cas no 1079991-69-7 (Methyl 4-fluoro-2-methyl-3-nitrobenzoate)

Methyl 4-fluoro-2-methyl-3-nitrobenzoate is a fluorinated aromatic ester with a nitro substituent, commonly utilized as a versatile intermediate in organic synthesis and pharmaceutical research. Its key structural features—a fluorine atom and a nitro group at adjacent positions—enhance reactivity in nucleophilic aromatic substitution and reduction reactions, making it valuable for constructing complex molecules. The methyl ester group offers stability while allowing further functionalization via hydrolysis or transesterification. This compound is particularly useful in the development of agrochemicals, pharmaceuticals, and specialty chemicals due to its balanced electron-withdrawing effects and synthetic flexibility. High purity grades ensure consistent performance in demanding applications.
Methyl 4-fluoro-2-methyl-3-nitrobenzoate structure
1079991-69-7 structure
Product Name:Methyl 4-fluoro-2-methyl-3-nitrobenzoate
CAS No:1079991-69-7
MF:C9H8FNO4
MW:213.162526130676
CID:2870506
PubChem ID:58575232
Update Time:2025-05-28

Methyl 4-fluoro-2-methyl-3-nitrobenzoate Chemical and Physical Properties

Names and Identifiers

    • methyl 4-fluoro-2-methyl-3-nitrobenzoate
    • D96217
    • WWECTNRZJYIRLT-UHFFFAOYSA-N
    • SCHEMBL543239
    • DB-188017
    • 1079991-69-7
    • Methyl 4-fluoro-2-methyl-3-nitrobenzoate
    • Inchi： 1S/C9H8FNO4/c1-5-6(9(12)15-2)3-4-7(10)8(5)11(13)14/h3-4H,1-2H3
    • InChI Key： WWECTNRZJYIRLT-UHFFFAOYSA-N
    • SMILES： FC1C=CC(C(=O)OC)=C(C)C=1[N+](=O)[O-]

Computed Properties

  • Exact Mass: 213.04373590g/mol
  • Monoisotopic Mass: 213.04373590g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 265
  • 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: 2.1
  • Topological Polar Surface Area: 72.1

Methyl 4-fluoro-2-methyl-3-nitrobenzoate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A015012518-250mg
Methyl 4-fluoro-2-methyl-3-nitrobenzoate
 1079991-69-7 97%
250mg
 $470.40 2023-09-04
Alichem
A015012518-500mg
Methyl 4-fluoro-2-methyl-3-nitrobenzoate
 1079991-69-7 97%
500mg
 $831.30 2023-09-04
Alichem
A015012518-1g
Methyl 4-fluoro-2-methyl-3-nitrobenzoate
 1079991-69-7 97%
1g
 $1475.10 2023-09-04
Ambeed
A253402-250mg
Methyl 4-fluoro-2-methyl-3-nitrobenzoate
 1079991-69-7 95%
250mg
 $73.0 2024-04-26
Ambeed
A253402-1g
Methyl 4-fluoro-2-methyl-3-nitrobenzoate
 1079991-69-7 95%
1g
 $193.0 2024-04-26
Ambeed
A253402-5g
Methyl 4-fluoro-2-methyl-3-nitrobenzoate
 1079991-69-7 95%
5g
 $647.0 2024-04-26
Ambeed
A253402-25g
Methyl 4-fluoro-2-methyl-3-nitrobenzoate
 1079991-69-7 95%
25g
 $2341.0 2024-04-26
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1603681-100mg
Methyl 4-fluoro-2-methyl-3-nitrobenzoate
 1079991-69-7 98%
100mg
 ￥322.00 2024-08-09
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1603681-250mg
Methyl 4-fluoro-2-methyl-3-nitrobenzoate
 1079991-69-7 98%
250mg
 ￥541.00 2024-08-09
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1603681-1g
Methyl 4-fluoro-2-methyl-3-nitrobenzoate
 1079991-69-7 98%
1g
 ￥1362.00 2024-08-09

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