Cas no 952479-97-9 (Methyl 5-fluoro-3-methyl-2-nitrobenzoate)

Methyl 5-fluoro-3-methyl-2-nitrobenzoate structure
952479-97-9 structure
Product Name:Methyl 5-fluoro-3-methyl-2-nitrobenzoate
CAS No:952479-97-9
MF:C9H8FNO4
MW:213.162526130676
MDL:MFCD11977399
CID:797062
PubChem ID:53415166
Update Time:2024-10-25

Methyl 5-fluoro-3-methyl-2-nitrobenzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 5-fluoro-3-methyl-2-nitrobenzoate
    • Benzoic acid, 5-fluoro-3-methyl-2-nitro-, methyl ester
    • 5-fluoro-3-methyl-2-nitrobenzoic acid methyl ester
    • VFTXULHKYAMECP-UHFFFAOYSA-N
    • NE15367
    • methyl 5-fluoro-3-methyl-2-nitro-benzoate
    • methyl 5-fluoranyl-3-methyl-2-nitro-benzoate
    • A845249
    • Benzoicacid, 5-fluoro-3-methyl-2-nitro-, methyl ester
    • SCHEMBL1056662
    • EN300-102937
    • MFCD11977399
    • AS-69300
    • CS-0159644
    • D82726
    • DTXSID30696995
    • 952479-97-9
    • METHYL5-FLUORO-3-METHYL-2-NITROBENZOATE
    • CNB47997
    • AKOS022173426
    • MDL： MFCD11977399
    • Inchi： 1S/C9H8FNO4/c1-5-3-6(10)4-7(9(12)15-2)8(5)11(13)14/h3-4H,1-2H3
    • InChI Key： VFTXULHKYAMECP-UHFFFAOYSA-N
    • SMILES： O=C(C1C([N+](=O)[O-])=C(C)C=C(F)C=1)OC

Computed Properties

  • Exact Mass: 213.044
  • Monoisotopic Mass: 213.044
  • 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
  • Topological Polar Surface Area: 72.1
  • XLogP3: 2.1

Experimental Properties

  • Density: 1.335±0.06 g/cm3 (20 oC 760 Torr),
  • Solubility: Very slightly soluble (0.23 g/l) (25 o C),

Methyl 5-fluoro-3-methyl-2-nitrobenzoate Pricemore >>

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Methyl 5-fluoro-3-methyl-2-nitrobenzoate Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Cesium carbonate Solvents: Dimethylformamide ;  overnight, rt
Reference
Preparation of quinuclidinyldihydrodiazepinoindazolone derivatives and analogs for use as 5-HT3 receptor modulators
, World Intellectual Property Organization, , ,

Production Method 2

Reaction Conditions
1.1 Reagents: Cesium carbonate Solvents: Dimethylformamide ;  18 h, rt
Reference
Preparation of amide substituted indazole and benzotriazole derivatives as poly(ADP-ribose)polymerase (parp) inhibitors
, World Intellectual Property Organization, , ,

Production Method 3

Reaction Conditions
1.1 Reagents: Potassium carbonate Solvents: Dimethylformamide ;  20 h, rt
Reference
Preparation of (aralkyl)indazolylcarboxamide derivatives for treatment of EP2, EP4 receptor mediated diseases
, China, , ,

Production Method 4

Reaction Conditions
1.1 Reagents: Sulfuric acid Solvents: Methanol ;  0 °C; 15 h, reflux; reflux → rt
1.2 Reagents: Sodium carbonate Solvents: Water ;  pH 7, cooled
Reference
Substituted quinolinone compound as TOPK inhibitor useful in treatment of cancer and its preparation
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Production Method 5

Reaction Conditions
1.1 Reagents: Cesium carbonate Solvents: Dimethylformamide ;  18 h, rt
Reference
Preparation of piperidinylphenylindazolylcarboxamide for use as poly(ADP-ribose)polymerase inhibitors
, World Intellectual Property Organization, , ,

Methyl 5-fluoro-3-methyl-2-nitrobenzoate Raw materials

Methyl 5-fluoro-3-methyl-2-nitrobenzoate Preparation Products

Methyl 5-fluoro-3-methyl-2-nitrobenzoate Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:952479-97-9)Methyl 5-fluoro-3-methyl-2-nitrobenzoate
Order Number:A845249
Stock Status:in Stock
Quantity:1g/5g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 07:05
Price ($):305.0/1030.0

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952479-97-9 (Methyl 5-fluoro-3-methyl-2-nitrobenzoate) Related Products

Recommended suppliers
Amadis Chemical Company Limited
(CAS:952479-97-9)Methyl 5-fluoro-3-methyl-2-nitrobenzoate
A845249
Purity:99%/99%
Quantity:1g/5g
Price ($):305.0/1030.0
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