Cas no 946126-94-9 (Methyl 2-Fluoro-3-nitrobenzoate)

Methyl 2-Fluoro-3-nitrobenzoate structure
946126-94-9 structure
Product Name:Methyl 2-Fluoro-3-nitrobenzoate
CAS No:946126-94-9
MF:C8H6FNO4
MW:199.135945796967
MDL:MFCD10566813
CID:822315
PubChem ID:13470961
Update Time:2024-10-25

Methyl 2-Fluoro-3-nitrobenzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 2-fluoro-3-nitrobenzoate
    • C8H6FNO4
    • 2-fluoro-3-nitrobenzoic acid methyl ester
    • methyl fluoronitrobenzoate
    • RW3020
    • 2-Fluoro-3-nitro-benzoic acid methyl ester
    • PubChem21941
    • VEKYKLDXYNUERO-UHFFFAOYSA-N
    • AS07007
    • LS11777
    • SY046595
    • AB0007795
    • W9697
    • ST24030958
    • DTXSID80541663
    • CS-D1659
    • Methyl 2-fluoro-3-nitro-benzoate
    • SB40157
    • AKOS006302221
    • GS-4232
    • 946126-94-9
    • MFCD10566813
    • SCHEMBL960443
    • 2-Fluoro-3-nitrobenzoic acid mehty ester
    • EN300-267902
    • Methyl2-fluoro-3-nitrobenzoate
    • J-522015
    • DB-079976
    • Methyl 2-Fluoro-3-nitrobenzoate
    • MDL: MFCD10566813
    • Inchi: 1S/C8H6FNO4/c1-14-8(11)5-3-2-4-6(7(5)9)10(12)13/h2-4H,1H3
    • InChI Key: VEKYKLDXYNUERO-UHFFFAOYSA-N
    • SMILES: O=C(C1C(F)=C([N+](=O)[O-])C=CC=1)OC

Computed Properties

  • Exact Mass: 199.02800
  • Monoisotopic Mass: 199.02808583g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 240
  • 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: 72.1

Experimental Properties

  • Density: 1.388±0.06 g/cm3 (20 oC 760 Torr),
  • Solubility: Very slightly soluble (0.46 g/l) (25 o C),
  • PSA: 72.12000
  • LogP: 2.04370

Methyl 2-Fluoro-3-nitrobenzoate Customs Data

  • HS CODE:2916399090
  • Customs Data:

    China Customs Code:

    2916399090

    Overview:

    2916399090 Other aromatic monocarboxylic acids. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acrylic acid\Acrylates or esters shall be packaged clearly

    Summary:

    2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

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Methyl 2-Fluoro-3-nitrobenzoate Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Oxalyl chloride Catalysts: Dimethylformamide Solvents: Dichloromethane ;  rt
1.2 5 min, rt
Reference
From off-to on-target: New BRAF-inhibitor-template-derived compounds selectively targeting mitogen activated protein kinase kinase 4 (MKK4)
Kloevekorn, Philip; Pfaffenrot, Bent; Juchum, Michael; Selig, Roland ; Albrecht, Wolfgang ; et al, European Journal of Medicinal Chemistry, 2021, 210,

Production Method 2

Reaction Conditions
1.1 Reagents: Oxalyl chloride Catalysts: Dimethylformamide Solvents: Dichloromethane ;  rt
1.2 rt
Reference
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Production Method 3

Reaction Conditions
1.1 Catalysts: Sulfuric acid Solvents: Methanol ,  Water ;  overnight, 70 °C; 70 °C → rt
Reference
Preparation of benzenesulfonamidethiazole derivatives and analogs for use as B-Raf protein kinase inhibitors
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Production Method 4

Reaction Conditions
1.1 Reagents: Cesium fluoride Solvents: Dimethyl sulfoxide ;  40 min, 140 °C
Reference
Preparation of 2-oxo-2H-benzopyran derivatives and benzo[e][1,3]oxazine-2,4-dione derivatives as P27 protein inducers
, World Intellectual Property Organization, , ,

Production Method 5

Reaction Conditions
1.1 Catalysts: Sulfuric acid Solvents: Methanol ;  16 h, 50 °C
Reference
Preparation of oxazoles and thiazoles as protein kinase inhibitors
, World Intellectual Property Organization, , ,

Production Method 6

Reaction Conditions
1.1 Reagents: Cesium fluoride Solvents: Dimethylformamide ;  1 h, 140 °C
Reference
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Production Method 7

Reaction Conditions
1.1 Reagents: Potassium fluoride Solvents: Dimethylformamide ;  rt → 145 °C; 2 h, 110 - 140 °C; 140 °C → 50 °C
1.2 15 min, 50 °C
1.3 Solvents: Water ;  10 min, rt
Reference
Process for the preparation of substituted benzoates
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Production Method 8

Reaction Conditions
Reference
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Production Method 9

Reaction Conditions
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Reference
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Production Method 10

Reaction Conditions
1.1 Reagents: Potassium carbonate Solvents: Dimethylformamide ;  rt
1.2 1 h, rt
1.3 Reagents: Water
Reference
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Production Method 11

Reaction Conditions
1.1 Reagents: Sulfuric acid Solvents: Methanol ;  2 h, 60 °C
Reference
Crystallographic Realization of the Mathematically Predicted Densest All-Pentagon Packing Lattice by C5-Symmetric "Sticky" Fluoropentamers
Ren, Changliang; Zhou, Feng; Qin, Bo; Ye, Ruijuan; Shen, Sheng; et al, Angewandte Chemie, 2011, 50(45), 10612-10615

Production Method 12

Reaction Conditions
1.1 Reagents: Sulfuric acid Solvents: Methanol ,  Water ;  2 h, 60 °C
Reference
Planar Macrocyclic Fluoropentamers as Supramolecular Organogelators
Ren, Changliang; Xu, Shengyu; Xu, Jun; Chen, Hongyu; Zeng, Huaqiang, Organic Letters, 2011, 13(15), 3840-3843

Production Method 13

Reaction Conditions
1.1 Reagents: Lithium diisopropylamide ,  Boric acid (H3BO3) Solvents: Tetrahydrofuran ;  cooled; 1 h, heated
1.2 -5 °C; 3.5 h, -5 °C → rt; rt → -5 °C
1.3 Reagents: Ammonium chloride Solvents: Water ;  -5 °C
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Production Method 14

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Production Method 15

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Methyl 2-Fluoro-3-nitrobenzoate Raw materials

Methyl 2-Fluoro-3-nitrobenzoate Preparation Products

Methyl 2-Fluoro-3-nitrobenzoate Suppliers

Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:946126-94-9)methyl 2-fluoro-3-nitrobenzoate
Order Number:sfd18004
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:38
Price ($):discuss personally
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Suzhou Senfeida Chemical Co., Ltd
(CAS:946126-94-9)methyl 2-fluoro-3-nitrobenzoate
sfd18004
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
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