Cas no 847227-37-6 (5-Butyl-2-chloropyrimidine)

5-Butyl-2-chloropyrimidine is a chlorinated pyrimidine derivative featuring a butyl substituent at the 5-position. This compound serves as a versatile intermediate in organic synthesis, particularly in pharmaceutical and agrochemical applications. The reactive chlorine atom at the 2-position enables efficient nucleophilic substitution reactions, facilitating the introduction of diverse functional groups. The butyl chain enhances lipophilicity, making it useful in the design of compounds with tailored solubility and bioavailability profiles. Its stable pyrimidine core ensures compatibility with a range of reaction conditions. This intermediate is valued for its role in constructing complex heterocyclic systems, contributing to the development of bioactive molecules and specialty chemicals.
5-Butyl-2-chloropyrimidine structure
5-Butyl-2-chloropyrimidine structure
Product Name:5-Butyl-2-chloropyrimidine
CAS No:847227-37-6
MF:C8H11ClN2
MW:170.639340639114
MDL:MFCD04038777
CID:68929
PubChem ID:40424810
Update Time:2025-05-28

5-Butyl-2-chloropyrimidine Chemical and Physical Properties

Names and Identifiers

    • 5-Butyl-2-chloropyrimidine
    • 5-BURTYL-2-CHLOROPYRIMIDINE
    • 5-Butyl-2-chloropyrimidine (ACI)
    • AKOS015892546
    • SB55900
    • DTXSID10654159
    • MFCD04038777
    • 5-N-butyl-2-chloropyrimidine, AldrichCPR
    • SCHEMBL12760430
    • 5-butyl-2-chloro-pyrimidine
    • 847227-37-6
    • 5-n-Butyl-2-chloropyrimidine
    • AC-22792
    • MDL: MFCD04038777
    • Inchi: 1S/C8H11ClN2/c1-2-3-4-7-5-10-8(9)11-6-7/h5-6H,2-4H2,1H3
    • InChI Key: KLYDXQQVCFDVLW-UHFFFAOYSA-N
    • SMILES: ClC1N=CC(CCCC)=CN=1

Computed Properties

  • Exact Mass: 170.06100
  • Monoisotopic Mass: 170.061
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 3
  • Complexity: 100
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 3
  • Topological Polar Surface Area: 25.8A^2

Experimental Properties

  • Density: 1.11
  • Boiling Point: 278.554 °C at 760 mmHg
  • Flash Point: 278.554 °C at 760 mmHg
  • Refractive Index: 1.512
  • PSA: 25.78000
  • LogP: 2.47260

5-Butyl-2-chloropyrimidine 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%

5-Butyl-2-chloropyrimidine Pricemore >>

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abcr
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