Cas no 885519-05-1 (Methyl 3-bromo-2-methyl-5-nitrobenzoate)

Methyl 3-bromo-2-methyl-5-nitrobenzoate structure
885519-05-1 structure
Product Name:Methyl 3-bromo-2-methyl-5-nitrobenzoate
CAS No:885519-05-1
MF:C9H8BrNO4
MW:274.068121910095
MDL:MFCD08273772
CID:94732
PubChem ID:21907564
Update Time:2024-12-09

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

Names and Identifiers

    • Methyl 3-bromo-2-methyl-5-nitrobenzoate
    • 3-Bromo-2-methyl-5-nitromethyl benzoate
    • 3-BROMO-2-METHYL-5-NITROMETHYL CARBOXYLATE
    • methyl3-bromo-2-methyl-5-nitrobenzoate
    • 4306AC
    • BC005172
    • ST24047804
    • A10585
    • METHYL-3-BROMO-5-NITRO-2-METHYL BENZOATE
    • Benzoic acid, 3-bromo-2-methyl-5-nitro-, methyl ester
    • 3-BROMO-2-METHYL-5-NITRO BENZOIC ACID METHYL ESTER
    • Methyl 3-bromo-2-methyl-5-nitrobenzoate (ACI)
    • F17304
    • DB-077921
    • AKOS014882668
    • EN300-204592
    • SY018991
    • DS-2886
    • 885519-05-1
    • DTXSID10619889
    • PB43709
    • MFCD08273772
    • CS-0077241
    • SCHEMBL1335440
    • MDL: MFCD08273772
    • Inchi: 1S/C9H8BrNO4/c1-5-7(9(12)15-2)3-6(11(13)14)4-8(5)10/h3-4H,1-2H3
    • InChI Key: KHYSOGYKNCNXIS-UHFFFAOYSA-N
    • SMILES: O=C(C1C(C)=C(Br)C=C([N+](=O)[O-])C=1)OC

Computed Properties

  • Exact Mass: 272.96367g/mol
  • Monoisotopic Mass: 272.96367g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • 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: 2.7

Experimental Properties

  • Color/Form: No data available
  • Density: 1.6±0.1 g/cm3
  • Melting Point: No data available
  • Boiling Point: 344.8℃ at 760 mmHg
  • Flash Point: 162.3±26.5 °C

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

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

Production Method 1

Reaction Conditions
1.1 Reagents: Sulfuric acid Solvents: Methanol ;  rt; overnight, 60 °C
Reference
Discovery of EBI-2511: A Highly Potent and Orally Active EZH2 Inhibitor for the Treatment of Non-Hodgkin's Lymphoma
Lu, Biao ; Shen, Xiaodong; Zhang, Lei; Liu, Dong; Zhang, Caihua; et al, ACS Medicinal Chemistry Letters, 2018, 9(2), 98-102

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

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

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