Cas no 3029-64-9 (trichloropyrimidine-5-carbonitrile)

Trichloropyrimidine-5-carbonitrile is a versatile heterocyclic compound primarily used as a key intermediate in organic synthesis and pharmaceutical applications. Its structure, featuring reactive chloro and cyano substituents, enables efficient functionalization, making it valuable for constructing complex pyrimidine-based scaffolds. The compound exhibits high reactivity in nucleophilic substitution reactions, facilitating the synthesis of diverse derivatives for agrochemical, medicinal, and material science research. Its stability under standard storage conditions and compatibility with common solvents enhance its utility in multistep synthetic routes. Trichloropyrimidine-5-carbonitrile is particularly advantageous in the development of active pharmaceutical ingredients (APIs) and specialty chemicals due to its precise reactivity and modular design potential.
trichloropyrimidine-5-carbonitrile structure
3029-64-9 structure
Product Name:trichloropyrimidine-5-carbonitrile
CAS No:3029-64-9
MF:C5Cl3N3
MW:208.432597160339
MDL:MFCD07636745
CID:313494
PubChem ID:250945
Update Time:2025-06-07

trichloropyrimidine-5-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 2,4,6-Trichloro-5-cyanopyrimidine
    • 2,4,6-Ttrichloropyrimidine-5-carbonitrile
    • 2,4,6-Trichloro-5-pyrimidinecarbonitrile
    • 5-Cyano-2,4,6-trichloropyrimidine
    • NSC 70961
    • 2,4,6-Trichloropyrimidine-5-carbonitrile
    • 5-Pyrimidinecarbonitrile,2,4,6-trichloro-
    • 2,3-DIHYDROBENZOFURAN-5-CARBOXYLIC ACID
    • 2,4,6-trichloro-5-cyano-pyrimidine
    • 2,4,6-trichloro-pyrimidine-5-carbonitrile
    • trichloropyrimidine-5-carbonitrile
    • SB36475
    • DTXSID00290767
    • IAJCAZVXGKGAQK-UHFFFAOYSA-N
    • AMY130
    • BCP06167
    • MFCD07636745
    • A1-02107
    • DS-11186
    • 3029-64-9
    • 5-Pyrimidinecarbonitrile, 2,4,6-trichloro-
    • NSC70961
    • CS-W003410
    • AC-3172
    • NSC-70961
    • AKOS015892457
    • 5-cyano-2,4,6-trichloro-pyrimidine
    • FT-0649934
    • J-507067
    • A852023
    • SCHEMBL1014917
    • SY004231
    • DB-081496
    • MDL： MFCD07636745
    • Inchi： 1S/C5Cl3N3/c6-3-2(1-9)4(7)11-5(8)10-3
    • InChI Key： IAJCAZVXGKGAQK-UHFFFAOYSA-N
    • SMILES： ClC1C(C#N)=C(N=C(N=1)Cl)Cl

Computed Properties

  • Exact Mass: 206.91600
  • Monoisotopic Mass: 206.91578
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 177
  • 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: 49.6
  • XLogP3: 2.8

Experimental Properties

  • Density: 1.74
  • Melting Point: 122-124 oC
  • Boiling Point: 321 oC
  • Flash Point: 148 oC
  • Refractive Index: 1.609
  • PSA: 49.57000
  • LogP: 2.30848

trichloropyrimidine-5-carbonitrile Security Information

trichloropyrimidine-5-carbonitrile 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%

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trichloropyrimidine-5-carbonitrile Production Method

trichloropyrimidine-5-carbonitrile Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:3029-64-9)trichloropyrimidine-5-carbonitrile
Order Number:A852023
Stock Status:in Stock
Quantity:25g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 07:38
Price ($):290.0

trichloropyrimidine-5-carbonitrile Related Literature

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Amadis Chemical Company Limited
(CAS:3029-64-9)trichloropyrimidine-5-carbonitrile
A852023
Purity:99%
Quantity:25g
Price ($):290.0
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