5,8-dibromoisoquinoline (CAS: 81045-39-8) - Chemical Structure and Molecular Formula
5,8-dibromoisoquinoline (CAS: 81045-39-8) - Chemical Structure Thumbnail

5,8-dibromoisoquinoline

Catalog No:   FT-0699015

CAS No:   81045-39-8

  • Chemical Name:  5,8-dibromoisoquinoline
  • Molecular Formula:  C9H5Br2N
  • Molecular Weight:  286.95
  • InChI Key:  KNBALCRXZUTMBP-UHFFFAOYSA-N
  • InChI:  InChI=1S/C9H5Br2N/c10-8-1-2-9(11)7-5-12-4-3-6(7)8/h1-5H
Product pricing and availability information
Assay Pack Size Price Stock Action
98% 1g N/A N/A
98% 5g N/A N/A
98% Bulk Quantity N/A N/A
Melting_Point: N/A
CAS: 81045-39-8
MF: C9H5Br2N
Flash_Point: 173.7±22.3 °C
Product_Name: 5,8-Dibromoisoquinoline
Density: 1.9±0.1 g/cm3
FW: 286.951
Bolling_Point: 363.7±22.0 °C at 760 mmHg
Refractive_Index: 1.699
Vapor_Pressure: 0.0±0.8 mmHg at 25°C
MF: C9H5Br2N
Flash_Point: 173.7±22.3 °C
LogP: 3.53
FW: 286.951
Density: 1.9±0.1 g/cm3
PSA: 12.89000
Bolling_Point: 363.7±22.0 °C at 760 mmHg
Computational_Chemistry: ['1. XlogP :35 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA :129 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :163 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
Exact_Mass: 284.878845
Hazard_Codes: Xi
HS_Code: 2933499090

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