1-(3-BROMOPROPYL)PYRROLE (CAS: 100779-91-7) - Chemical Structure and Molecular Formula
1-(3-BROMOPROPYL)PYRROLE (CAS: 100779-91-7) - Chemical Structure Thumbnail

1-(3-BROMOPROPYL)PYRROLE

Catalog No:   FT-0642432

CAS No:   100779-91-7

  • Chemical Name:  1-(3-BROMOPROPYL)PYRROLE
  • Molecular Formula:  C7H10BrN
  • Molecular Weight:  188.06
  • InChI Key:  IXIXPLRTYIMRMC-UHFFFAOYSA-N
  • InChI:  InChI=1S/C7H10BrN/c8-4-3-7-9-5-1-2-6-9/h1-2,5-6H,3-4,7H2
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
Product_Name: 1-(3-Bromopropyl)pyrrole
Flash_Point: 89.7ºC
Melting_Point: N/A
FW: 188.06500
Density: 1.34g/cm3
CAS: 100779-91-7
Bolling_Point: 224.6ºC at 760mmHg
MF: C7H10BrN
Molecular_Structure: ['1. Molar refractive index 4376 ', '2. Molar volume 1397 ', '3. Parachor （902K）3474 ', '4. Surface tension 381 ', '5. Dielectric constant N/A ', '6. Polarizability 1735 ', '7. Single isotope mass 186999654 Da ', '8. Nominal mass 187 Da ', '9. Average mass 188065 Da']
LogP: 2.27310
Flash_Point: 89.7ºC
Refractive_Index: 1.538
FW: 188.06500
Density: 1.34g/cm3
Bolling_Point: 224.6ºC at 760mmHg
Computational_Chemistry: ['1. XlogP :17 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :0 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 49 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :693 ', '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']
PSA: 4.93000
Exact_Mass: 187.00000
Vapor_Pressure: 0.135mmHg at 25°C
MF: C7H10BrN
Risk_Statements(EU): 36/37/38
HS_Code: 2933990090
Safety_Statements: 26-36/37/39

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