Cas no 1184204-30-5 (Methyl 2-amino-3,6-difluorobenzoate)

Methyl 2-amino-3,6-difluorobenzoate is a fluorinated benzoate ester derivative with a molecular formula of C?H?F?NO?. This compound features an amino group at the 2-position and fluorine substituents at the 3- and 6-positions, making it a versatile intermediate in pharmaceutical and agrochemical synthesis. Its difluorinated aromatic structure enhances reactivity and selectivity in cross-coupling reactions, while the ester group allows for further functionalization. The compound is particularly valuable in the development of active pharmaceutical ingredients (APIs) and specialty chemicals due to its stability and compatibility with diverse reaction conditions. High purity grades are available to meet rigorous research and industrial requirements.
Methyl 2-amino-3,6-difluorobenzoate structure
1184204-30-5 structure
Product Name:Methyl 2-amino-3,6-difluorobenzoate
CAS No:1184204-30-5
MF:C8H7F2NO2
MW:187.143489122391
MDL:MFCD12159870
CID:1037513
PubChem ID:46941310
Update Time:2025-10-29

Methyl 2-amino-3,6-difluorobenzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 2-amino-3,6-difluorobenzoate
    • AM84008
    • CTK9A5814
    • FC1116
    • KSC005Q1J
    • MolPort-022-656-705
    • PubChem14018
    • DTXSID70677405
    • DB-011580
    • AS-46041
    • CL8518
    • CS-0216334
    • methyl2-amino-3,6-difluorobenzoate
    • Z594218764
    • AKOS015890276
    • EN300-399362
    • 1184204-30-5
    • Benzoic acid, 2-amino-3,6-difluoro-, methyl ester
    • MFCD12159870
    • MDL： MFCD12159870
    • Inchi： 1S/C8H7F2NO2/c1-13-8(12)6-4(9)2-3-5(10)7(6)11/h2-3H,11H2,1H3
    • InChI Key： SWVGSVMHUSBITN-UHFFFAOYSA-N
    • SMILES： FC1=CC=C(C(=C1C(=O)OC)N)F

Computed Properties

  • Exact Mass: 187.04451
  • Monoisotopic Mass: 187.044
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 201
  • 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: 1.8
  • Topological Polar Surface Area: 52.3A^2

Experimental Properties

  • Density: 1.355±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 263.7±40.0 oC (760 Torr),
  • Flash Point: 113.3±27.3 oC,
  • Solubility: Very slightly soluble (0.24 g/l) (25 o C),
  • PSA: 52.32

Methyl 2-amino-3,6-difluorobenzoate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
M286673-10mg
Methyl 2-Amino-3,6-difluorobenzoate
 1184204-30-5
10mg
 $ 50.00 2022-06-04
TRC
M286673-50mg
Methyl 2-Amino-3,6-difluorobenzoate
 1184204-30-5
50mg
 $ 65.00 2022-06-04
TRC
M286673-100mg
Methyl 2-Amino-3,6-difluorobenzoate
 1184204-30-5
100mg
 $ 80.00 2022-06-04
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.
M35270-1g
Methyl 2-amino-3,6-difluorobenzoate
 1184204-30-5 95%
1g
 ￥1342.0 2022-04-27
Apollo Scientific
PC903670-1g
Methyl 2-amino-3,6-difluorobenzoate
 1184204-30-5 95%
1g
 ￡65.00 2025-02-22
Apollo Scientific
PC903670-5g
Methyl 2-amino-3,6-difluorobenzoate
 1184204-30-5 95%
5g
 ￡271.00 2025-02-22
Alichem
A015008425-250mg
Methyl 2-amino-3,6-difluorobenzoate
 1184204-30-5 97%
250mg
 $484.80 2023-09-04
Alichem
A015008425-500mg
Methyl 2-amino-3,6-difluorobenzoate
 1184204-30-5 97%
500mg
 $847.60 2023-09-04
Alichem
A015008425-1g
Methyl 2-amino-3,6-difluorobenzoate
 1184204-30-5 97%
1g
 $1460.20 2023-09-04
eNovation Chemicals LLC
D625355-1g
Methyl 2-Amino-3,6-Difluorobenzoate
 1184204-30-5 97%
1g
 $180 2024-05-23

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