Cas no 31462-59-6 (Pyrimidine-4-carboxylic acid)

Pyrimidine-4-carboxylic acid structure
Pyrimidine-4-carboxylic acid structure
Product Name:Pyrimidine-4-carboxylic acid
CAS No:31462-59-6
MF:C5H4N2O2
MW:124.097460746765
MDL:MFCD00129737
CID:53753
PubChem ID:169306
Update Time:2024-10-30

Pyrimidine-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • Pyrimidine-4-carboxylic acid
    • 4-Pyrimidinecarboxylic acid
    • BCP26720
    • 9N-013
    • PYRIMIDIN-4-YL-CARBOXYLIC ACID
    • F3096-1882
    • AM20090449
    • SB10116
    • DTXSID6067624
    • pyrimidine-4-carboxylicacid
    • YPOXGDJGKBXRFP-UHFFFAOYSA-N
    • SY005548
    • AKOS002347146
    • InChI=1/C5H4N2O2/c8-5(9)4-1-2-6-3-7-4/h1-3H,(H,8,9
    • MFCD00129737
    • pyrimidine 4-carboxylic acid
    • EINECS 250-641-7
    • A820865
    • P1993
    • 31462-59-6
    • Z57064900
    • SCHEMBL37469
    • 4-OXO-HEX-5-ENOICACIDETHYLESTER
    • W-106899
    • EN300-111006
    • CS-W002404
    • 4-pyrimidine-carboxylicacid
    • PB29023
    • FT-0602225
    • CHEMBL5197448
    • AE-641/00364016
    • HY-W002404
    • AC-1223
    • NS00029101
    • DB-006901
    • AC-907/25004394
    • STK661673
    • MDL: MFCD00129737
    • Inchi: 1S/C5H4N2O2/c8-5(9)4-1-2-6-3-7-4/h1-3H,(H,8,9)
    • InChI Key: YPOXGDJGKBXRFP-UHFFFAOYSA-N
    • SMILES: OC(C1C=CN=CN=1)=O

Computed Properties

  • Exact Mass: 124.02700
  • Monoisotopic Mass: 124.027
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 116
  • 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
  • XLogP3: _0
  • Topological Polar Surface Area: 63.1A^2

Experimental Properties

  • Color/Form: White to Yellow Solid
  • Density: 1.403
  • Melting Point: 225.0 to 229.0 deg-C
  • Boiling Point: 318.7°C at 760 mmHg
  • Flash Point: 146.5℃
  • Refractive Index: 1.579
  • PSA: 63.08000
  • LogP: 0.17480

Pyrimidine-4-carboxylic acid Security Information

  • Symbol: GHS05 GHS07
  • Signal Word:Danger
  • Hazard Statement: H315-H317-H318-H335
  • Warning Statement: P261-P280-P305 + P351 + P338
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 36
  • Safety Instruction: 26
  • Hazardous Material Identification: Xi Xn
  • HazardClass:IRRITANT
  • TSCA:Yes
  • Storage Condition:Inert atmosphere,2-8°C

Pyrimidine-4-carboxylic acid Pricemore >>

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Pyrimidine-4-carboxylic acid Production Method

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