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  2. 99-42-3
Methyl 4-hydroxy-3-nitrobenzoate | 99-42-3

Product name:Methyl 4-hydroxy-3-nitrobenzoate

CAS No:99-42-3
MF:C8H7NO5
MW:197.1449
MDL:MFCD00014695
CID:35019
PubChem ID:66835
Names and Identifiers
  • Methyl 4-hydroxy-3-nitrobenzoate
  • 4-Hydroxy-3-nitrobenzoic acid methyl ester
  • Methyl 3-nitro-4-hydroxybenzoate
  • C8H7NO5
  • Benzoic acid, 4-hydroxy-3-nitro-, methyl ester
  • Methyl 3-nitro-4-hydroxy toluate
  • GNCWCTBHZCBXGL-UHFFFAOYSA-N
  • 3-NITRO-4-HYDROXYBENZOIC ACID METHYL ESTER
  • AURORA 6897
  • 3-nitro-4-hydroxymethylbenzoate
  • BEN341
  • 4-methoxycarbonyl-2-nitrophenol
  • RARECHEM AL BF 0172
  • DTXSID7059197
  • 99-42-3
  • METHYL 4-HYDRO-3-NITROBENZOATE
  • NSC 28667
  • CS-W010572
  • 3-10-00-00378 (Beilstein Handbook Reference)
  • 4'-acetylbiphenyl-4-carboxylicacid
  • NSC28667
  • AKOS000121332
  • Methyl 4-hydroxy-3-nitrobenzoate
  • 4-Hydroxy-3-nitrobenzoic acid methyl ester
  • Methyl4-Hydroxy-3-nitrobenzoate
  • Z57479406
  • 4-hydroxy-3-nitro-benzoic acid methyl ester
  • AC-25710
  • EINECS 202-755-3
  • SCHEMBL16254547
  • NS00007044
  • m-Nitro-p-oxybenzoesauremethylester
  • I10142
  • BCP21849
  • AS-60895
  • FT-0600310
  • W-100037
  • Methyl 4-hydroxy-3-nitrobenzoate, 98+%
  • EN300-18355
  • NSC-28667
  • SCHEMBL531728
  • 3-Nitro-4-hydroxy-benzoic acid methyl ester
  • AMY24023
  • BRN 2115197
  • 4-(hydroxymethyl)-3-nitrobenzoate
  • Methyl-4-hydroxy-3-nitrobenzoate
  • MFCD00014695
  • MDL:MFCD00014695
  • InChIKey:GNCWCTBHZCBXGL-UHFFFAOYSA-N
  • Inchi:1S/C8H7NO5/c1-14-8(11)5-2-3-7(10)6(4-5)9(12)13/h2-4,10H,1H3
  • SMILES:O([H])C1C([H])=C([H])C(C(=O)OC([H])([H])[H])=C([H])C=1[N+](=O)[O-]
  • BRN:2115197
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 197.03200
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Rotatable Bond Count: 2
  • Monoisotopic Mass: 197.032
  • Heavy Atom Count: 14
  • Complexity: 236
  • 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: 1.7
  • Tautomer Count: 6
  • Surface Charge: 0
  • Topological Polar Surface Area: 92.4

Experimental Properties

  • LogP: 1.61020
  • PSA: 92.35000
  • Refractive Index: 1.4476 (estimate)
  • Boiling Point: 346.25°C (rough estimate)
  • Melting Point: 74-76°C
  • Flash Point: 141.9 °C
  • Color/Form: Crystalline powder
  • Solubility: Not determined
  • Density: 1.2569 (rough estimate)
Security Information
  • RTECS:DH2528400
  • Safety Instruction:S26-S36/37/39
  • Risk Phrases:R36/37/38
  • Hazard Category Code:R36/37/38: irritating to eyes, respiratory tract and skin
  • TSCA:Yes
Customs Data
  • HS CODE:2918290000
  • Customs Data:

    China Customs Code:

    2918290000

    Overview:

    2918290000 Other carboxylic acids and anhydrides containing phenolic groups but not other oxy groups\Acyl halide\Peroxides and peroxyacids and their derivatives.Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods).VAT:17.0%.Tax refund rate:9.0%.MFN tariff:6.5%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Regulatory conditions:

    A.Customs clearance form for Inbound Goods
    B.Customs clearance form for outbound goods

    Inspection and quarantine category:

    R.Sanitary supervision and inspection of imported food
    S.Sanitary supervision and inspection of exported food

    Summary:

    HS: 2918290000 other carboxylic acids with phenol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) VAT:17.0% MFN tariff:6.5% General tariff:30.0%

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