Cas no 831203-15-7 (2-(5-bromopyrimidin-2-yl)acetonitrile)

2-(5-bromopyrimidin-2-yl)acetonitrile structure
831203-15-7 structure
Product Name:2-(5-bromopyrimidin-2-yl)acetonitrile
CAS No:831203-15-7
MF:C6H4BrN3
MW:198.020059585571
MDL:MFCD11111850
CID:706508
PubChem ID:45789784
Update Time:2025-09-19

2-(5-bromopyrimidin-2-yl)acetonitrile Chemical and Physical Properties

Names and Identifiers

    • 5-Bromo-2-pyrimidineacetonitrile
    • 2-(5-Bromopyrimidin-2-yl)acetonitrile
    • 2-Pyrimidineacetonitrile,5-bromo-
    • 2-Pyrimidineacetonitrile,5-bromo
    • (5-Bromo-pyrimidin-2-yl)-acetonitrile
    • 5-Bromo-2-pyrimidineacetonitrile (ACI)
    • AKOS013187530
    • XLGDBMBECTZVKI-UHFFFAOYSA-N
    • 2-(5-Bromo-2-pyrimidyl)acetonitrile
    • SCHEMBL1763006
    • DS-10677
    • MFCD11111850
    • 831203-15-7
    • (5-bromopyrimidin-2-yl)acetonitrile
    • DB-075901
    • DTXSID50672019
    • CS-W006610
    • SB15867
    • 2-(5-bromopyrimidin-2-yl)acetonitrile
    • MDL: MFCD11111850
    • Inchi: 1S/C6H4BrN3/c7-5-3-9-6(1-2-8)10-4-5/h3-4H,1H2
    • InChI Key: XLGDBMBECTZVKI-UHFFFAOYSA-N
    • SMILES: N#CCC1N=CC(Br)=CN=1

Computed Properties

  • Exact Mass: 196.95900
  • Monoisotopic Mass: 196.959
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 142
  • 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: 49.6A^2
  • XLogP3: 0.6

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.7±0.1 g/cm3
  • Melting Point: No data available
  • Boiling Point: 293.8℃ at 760 mmHg
  • Flash Point: 131.5±21.8 °C
  • Refractive Index: 1.584
  • PSA: 49.57000
  • LogP: 1.30518
  • Vapor Pressure: 0.0±0.6 mmHg at 25°C

2-(5-bromopyrimidin-2-yl)acetonitrile Security Information

2-(5-bromopyrimidin-2-yl)acetonitrile Customs Data

  • HS CODE:2933599090
  • Customs Data:

    China Customs Code:

    2933599090

    Overview:

    2933599090. Other compounds with pyrimidine ring in structure(Including other compounds with piperazine ring on the 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:

    2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

2-(5-bromopyrimidin-2-yl)acetonitrile Pricemore >>

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