Cas no 216959-91-0 (4-PmBC)

4-PmBC structure
4-PmBC structure
Product Name:4-PmBC
CAS No:216959-91-0
MF:C11H8N2O2
MW:200.193422317505
MDL:MFCD05864811
CID:66955
PubChem ID:4187247
Update Time:2025-04-18

4-PmBC Chemical and Physical Properties

Names and Identifiers

    • 4-(Pyrimidin-5-yl)benzoic acid
    • 4-Pyrimidin-5-ylbenzoic acid
    • 4-Pyrimidin-5-yl-benzoic acid
    • 4-(5-Pyrimidinyl)benzoic acid
    • 4-(5-pyrimidyl)benzoic acid
    • 4-[Pyrimidin-5-yl]-Benzoic Acid
    • 4-(5-Pyrimidyl)benzoicacid
    • CCBKADQVSXLSDN-UHFFFAOYSA-N
    • 4-(pyrimidin-5-yl) benzoic acid
    • Benzoic acid, 4-(5-pyrimidinyl)-
    • SBB052794
    • FC0965
    • RP04237
    • AB0023442
    • ST50949585
    • AM20050580
    • BB 02229
    • 4-PmBC
    • TS-02826
    • SCHEMBL1222296
    • AKOS004117304
    • MFCD05864811
    • 216959-91-0
    • SB60573
    • EN300-745484
    • DTXSID80400504
    • CS-W022025
    • BB 0222963
    • FT-0694741
    • A878958
    • W-206670
    • DB-001519
    • MDL: MFCD05864811
    • Inchi: 1S/C11H8N2O2/c14-11(15)9-3-1-8(2-4-9)10-5-12-7-13-6-10/h1-7H,(H,14,15)
    • InChI Key: CCBKADQVSXLSDN-UHFFFAOYSA-N
    • SMILES: OC(C1C=CC(=CC=1)C1=CN=CN=C1)=O

Computed Properties

  • Exact Mass: 200.05900
  • Monoisotopic Mass: 200.059
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 219
  • 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: 63.1
  • XLogP3: 1.4

Experimental Properties

  • Density: 1.302
  • Melting Point: 316-317oC
  • Boiling Point: 419.5 °C at 760 mmHg
  • Flash Point: 207.5 °C
  • PSA: 63.08000
  • LogP: 1.84180

4-PmBC Security Information

4-PmBC 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%

4-PmBC Pricemore >>

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