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  2. 5081-37-8

5081-37-8

(name: Methyl 3-methoxy-4-nitrobenzoate)
5081-37-8
Product name:Methyl 3-methoxy-4-nitrobenzoate
CAS No:5081-37-8
MF:C9H9NO5
MW:211.17146
MDL:MFCD00051967
CID:45518
PubChem ID:287308
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Names and Identifiers

  • Methyl 3-methoxy-4-nitrobenzoate
  • 3-Methoxy-4-nitrobenzoic acid methyl ester
  • 3-Methoxy-4-nitrobenzoic  acid  methyl  ester
  • Methyl 3-methoxy-4-nitrobenzenecarboxylate
  • 3-Methoxy-4-nitro-benzoesaeure-methylester
  • 3-methoxy-4-nitro-benzoic acid methyl ester
  • Benzoic acid,5-methoxy-4-nitro-,methyl(ester)
  • Benzoic acid, 3-methoxy-4-nitro-, methyl ester
  • Benzoic acid, 5-methoxy-4-nitro-, methyl(ester)
  • CS-W015063
  • NSC-147082
  • AKOS005072817
  • methyl 3-methoxy-4-nitrobenzenecarboxylate
  • 3-Methoxy-4-nitro-benzoic acid methyl ester
  • FT-0601650
  • NSC147082
  • SCHEMBL310574
  • AM20040583
  • 5081-37-8
  • A828306
  • J-522193
  • MFCD00051967
  • SY007306
  • DTXSID80301880
  • FA-0711
  • ALBB-035782
  • MDL:MFCD00051967
  • InChIKey:PVVFEPFLFHDHHK-UHFFFAOYSA-N
  • Inchi:1S/C9H9NO5/c1-14-8-5-6(9(11)15-2)3-4-7(8)10(12)13/h3-5H,1-2H3
  • SMILES:COC1=C(C=CC(=C1)C(=O)OC)[N+](=O)[O-]
  • BRN:2856207

Chemical and Physical Properties

Computed Properties

  • Exact Mass: 211.04800
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Rotatable Bond Count: 4
  • Monoisotopic Mass: 211.048
  • Heavy Atom Count: 15
  • Complexity: 249
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 1
  • XLogP3: 1.6
  • Tautomer Count: nothing
  • Surface Charge: 0
  • Topological Polar Surface Area: 81.4A^2

Experimental Properties

  • LogP: 1.91320
  • PSA: 81.35000
  • Refractive Index: 1.54
  • Boiling Point: 350.7 ℃ at 760 mmHg
  • Melting Point: 86-88°C
  • Flash Point: 168.3 °C
  • Color/Form: Crystalline powder
  • Solubility: Uncertain
  • Density: 1.294
Security Information
  • Safety Term:S22;S24/25
  • Safety Instruction:S22-S24/25
  • ป้ายอันตราย: Xi Xi
  • Hazard Statement:Irritant
  • HazardClass:IRRITANT
Customs Data
  • HS CODE:2918990090
  • Customs Data:

    China Customs Code:

    2918990090

    Overview:

    2918990090. Other additional oxy carboxylic acids(Including anhydrides\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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