Cas no 66121-66-2 (1-Methyl-1H-imidazole-5-carbonitrile)

1-Methyl-1H-imidazole-5-carbonitrile structure
66121-66-2 structure
Product Name:1-Methyl-1H-imidazole-5-carbonitrile
CAS No:66121-66-2
MF:C5H5N3
MW:107.113300085068
MDL:MFCD06200859
CID:58433
PubChem ID:2795425
Update Time:2025-04-18

1-Methyl-1H-imidazole-5-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 1-Methyl-1H-imidazole-5-carbonitrile
    • 3-methylimidazole-4-carbonitrile
    • Z1201623260
    • A8935
    • SY041686
    • FT-0653653
    • AMY24744
    • MFCD06200859
    • AS-34317
    • SCHEMBL945843
    • CS-0052469
    • 3-METHYL-3H-IMIDAZOLE-4-CARBONITRILE
    • EN300-116821
    • 1-methylimidazole-5-carbonitrile
    • J-504911
    • 66121-66-2
    • PB24888
    • DTXSID60383664
    • J-504867
    • AKOS006345441
    • 1-methyl-1H-imidazole-5-carbonitrile, AldrichCPR
    • MDL： MFCD06200859
    • Inchi： 1S/C5H5N3/c1-8-4-7-3-5(8)2-6/h3-4H,1H3
    • InChI Key： VRBIIAGKRWHJQE-UHFFFAOYSA-N
    • SMILES： N1(C=NC=C1C#N)C

Computed Properties

  • Exact Mass: 107.04800
  • Monoisotopic Mass: 107.048
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 0
  • Complexity: 123
  • 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: 41.6A^2
  • XLogP3: 0.1

Experimental Properties

  • Density: 1.1±0.1 g/cm3
  • Melting Point: 55 °C
  • Boiling Point: 314.1±15.0 °C at 760 mmHg
  • Flash Point: 143.8±20.4 °C
  • Refractive Index: 1.579
  • PSA: 41.61000
  • LogP: 0.29178
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

1-Methyl-1H-imidazole-5-carbonitrile Security Information

  • Signal Word：warning
  • Hazard Statement： Harmful
  • Warning Statement： P264+P280+P305+P351+P338+P337+P313
  • Hazard Category Code： 25
  • Safety Instruction： 45
  • Hazardous Material Identification： T
  • Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)

1-Methyl-1H-imidazole-5-carbonitrile Customs Data

  • HS CODE：2933290090
  • Customs Data：

    China Customs Code:

    2933290090

    Overview:

    2933290090. Other compounds with non fused imidazole ring in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933290090. other compounds containing an unfused imidazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

1-Methyl-1H-imidazole-5-carbonitrile Pricemore >>

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