Cas no 84547-91-1 (1H-Pyrazole-3-carboxylic acid, 4-bromo-1-methyl-5-nitro-)

1H-Pyrazole-3-carboxylic acid, 4-bromo-1-methyl-5-nitro- structure
84547-91-1 structure
Product Name:1H-Pyrazole-3-carboxylic acid, 4-bromo-1-methyl-5-nitro-
CAS No:84547-91-1
MF:C5H4BrN3O4
MW:250.006959915161
CID:666967
PubChem ID:1242244
Update Time:2025-04-19

1H-Pyrazole-3-carboxylic acid, 4-bromo-1-methyl-5-nitro- Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazole-3-carboxylic acid, 4-bromo-1-methyl-5-nitro-
    • 4-Bromo-1-methyl-5-nitro-1H-pyrazole-3-carboxylic acid
    • 4-Methoxy-3-{[3-(trifluoromethyl)phenoxy]-methyl}benzaldehyde
    • 84547-91-1
    • DTXSID80361328
    • AKOS001604691
    • 4-bromo-1-methyl-5-nitro-pyrazole-3-carboxylic
    • SR-01000407660-1
    • 4-bromo-1-methyl-5-nitropyrazole-3-carboxylic acid
    • SCHEMBL3561814
    • SR-01000407660
    • MDL： MFCD00463983
    • Inchi： 1S/C5H4BrN3O4/c1-8-4(9(12)13)2(6)3(7-8)5(10)11/h1H3,(H,10,11)
    • InChI Key： FXVAFLWTYAMIKF-UHFFFAOYSA-N
    • SMILES： BrC1C(C(=O)O)=NN(C)C=1[N+](=O)[O-]

Computed Properties

  • Exact Mass: 310.08200
  • Monoisotopic Mass: 248.93852g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 242
  • 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: 0.9
  • Topological Polar Surface Area: 101?2

Experimental Properties

  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 399.2±42.0 °C at 760 mmHg
  • Flash Point: 188.5±22.8 °C
  • PSA: 35.53000
  • LogP: 4.10550
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

1H-Pyrazole-3-carboxylic acid, 4-bromo-1-methyl-5-nitro- Security Information

1H-Pyrazole-3-carboxylic acid, 4-bromo-1-methyl-5-nitro- Customs Data

  • HS CODE：2913000090
  • Customs Data：

    China Customs Code:

    2913000090

    Overview:

    2913000090 Item2912Other derivatives of the listed products [refer to halogenation,sulfonation,Nitrosative or nitrosative derivatives]. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    HS: 2913000090 halogenated, sulphonated, nitrated or nitrosated derivatives of products of heading 2912 Educational tariff:17.0% Tax rebate rate:9.0% Regulatory conditions:none Most favored nation tariff:5.5% General tariff:30.0%

1H-Pyrazole-3-carboxylic acid, 4-bromo-1-methyl-5-nitro- Pricemore >>

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1H-Pyrazole-3-carboxylic acid, 4-bromo-1-methyl-5-nitro- Production Method

1H-Pyrazole-3-carboxylic acid, 4-bromo-1-methyl-5-nitro- Related Literature

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