Cas no 206658-81-3 (2-Amino-6-chloro-4-pyrimidinol hydrate)

2-Amino-6-chloro-4-pyrimidinol hydrate structure
206658-81-3 structure
Product Name:2-Amino-6-chloro-4-pyrimidinol hydrate
CAS No:206658-81-3
MF:C4H6ClN3O2
MW:163.562339305878
MDL:MFCD00149407
CID:910234
PubChem ID:135445674
Update Time:2025-04-19

2-Amino-6-chloro-4-pyrimidinol hydrate Chemical and Physical Properties

Names and Identifiers

    • 2-Amino-6-chloro-4-pyrimidinol hydrate
    • 2-AMINO-6-CHLORO-4-PYRIMIDINOL HYDRATE, 95
    • 2-AMINO-6-CHLORO-4-PYRIMIDINOL MONOHYDRATE
    • 4(1H)-Pyrimidinone,2-amino-6-chloro-,hydrate (9CI)
    • NS00079775
    • 2-Amino-6-chloro-4-pyrimidinol H2O
    • 2-Amino-6-chloropyrimidin-4-ol hydrate
    • 206658-81-3
    • 2-Amino-4-chloro-6-hydroxypyrimidine monohydrate
    • MFCD00149407
    • AKOS015892470
    • CS-0206690
    • 2-Amino-6-chloropyrimidin-4(1H)-one hydrate(1:x)
    • 2-Amino-6-chloro-4-pyrimidinol, monohydrate
    • 410530-71-1
    • DTXSID40512753
    • SB55636
    • 2-amino-4-chloro-1H-pyrimidin-6-one;hydrate
    • SCHEMBL9836997
    • BS-25021
    • 2-Amino-6-chloro-4-pyrimidinol hydrate, 98%
    • A873158
    • SCHEMBL190313
    • 2-Amino-6-chloro-4-pyrimidinol hydrate,95
    • 2-Amino-6-chloropyrimidin-4(1H)-one--water (1/1)
    • A10454
    • MDL: MFCD00149407
    • Inchi: 1S/C4H4ClN3O.H2O/c5-2-1-3(9)8-4(6)7-2;/h1H,(H3,6,7,8,9);1H2
    • InChI Key: KBQIJULVUFJCMD-UHFFFAOYSA-N
    • SMILES: ClC1=CC(NC(N)=N1)=O.O

Computed Properties

  • Exact Mass: 163.01500
  • Monoisotopic Mass: 145.004289
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 208
  • 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
  • XLogP3: -0.5
  • Topological Polar Surface Area: 67.5

Experimental Properties

  • Color/Form: Not available
  • Density: 1.79
  • Melting Point: 252?°C (dec.)(lit.)
  • Boiling Point: 259.1°Cat760mmHg
  • Flash Point: 110.5°C
  • PSA: 81.26000
  • LogP: 0.93470
  • Solubility: Not available

2-Amino-6-chloro-4-pyrimidinol hydrate Security Information

  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: S24/25
  • Hazardous Material Identification: Xi
  • Safety Term:S24/25

2-Amino-6-chloro-4-pyrimidinol hydrate Pricemore >>

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