2-chloro-2-nitropropane (CAS: 594-71-8) - Chemical Structure and Molecular Formula
2-chloro-2-nitropropane (CAS: 594-71-8) - Chemical Structure Thumbnail

2-chloro-2-nitropropane

Catalog No:   FT-0691607

CAS No:   594-71-8

  • Chemical Name:  2-chloro-2-nitropropane
  • Molecular Formula:  C3H6ClNO2
  • Molecular Weight:  123.54
  • InChI Key:  JQYFSFNSNVRUPY-UHFFFAOYSA-N
  • InChI:  InChI=1S/C3H6ClNO2/c1-3(2,4)5(6)7/h1-2H3
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: 594-71-8
MF: C3H6ClNO2
Flash_Point: 37.4ºC
Product_Name: 2-chloro-2-nitropropane
Density: 1.208g/cm3
FW: 123.53800
Bolling_Point: 138.3ºC at 760mmHg
Refractive_Index: 1.436
Flash_Point: 37.4ºC
LogP: 1.76120
Bolling_Point: 138.3ºC at 760mmHg
FW: 123.53800
PSA: 45.82000
Computational_Chemistry: ['1. XlogP :13 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA :458 ', '7. Heavy Atom Count :7 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :854 ', '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']
MF: C3H6ClNO2
Exact_Mass: 123.00900
Density: 1.208g/cm3

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