3-Bromophthalide (CAS: 6940-49-4) - Chemical Structure and Molecular Formula
3-Bromophthalide (CAS: 6940-49-4) - Chemical Structure Thumbnail

3-Bromophthalide

Catalog No:   FT-0615239

CAS No:   6940-49-4

  • Chemical Name:  3-Bromophthalide
  • Molecular Formula:  C8H5BrO2
  • Molecular Weight:  213.03
  • InChI Key:  CLMSHAWYULIVFQ-UHFFFAOYSA-N
  • InChI:  InChI=1S/C8H5BrO2/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4,7H
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: 86°C
CAS: 6940-49-4
MF: C8H5BrO2
Flash_Point: 139.4±27.9 °C
Product_Name: 3-BROMO PHTHALIDE
Density: 1.8±0.1 g/cm3
FW: 213.028
Bolling_Point: 306.9±42.0 °C at 760 mmHg
Refractive_Index: 1.639
Vapor_Pressure: 0.0±0.7 mmHg at 25°C
Flash_Point: 139.4±27.9 °C
LogP: 1.43
Bolling_Point: 306.9±42.0 °C at 760 mmHg
FW: 213.028
PSA: 26.30000
Computational_Chemistry: ['1. XlogP :N/A ', '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 263 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :181 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :1 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
Melting_Point: 86°C
MF: C8H5BrO2
Exact_Mass: 211.947281
Molecular_Structure: ['1. Molar refractive index 4333 ', '2. Molar volume 1204 ', '3. Parachor （902K）3287 ', '4. Surface tension 555 ', '5. Polarizability 1718']
Density: 1.8±0.1 g/cm3
More_Info: ['1. Appearance 淡Yellow Solid ', '2. Melting point（ºC）80-83 ', '3. Boiling point（ºC）138']
Risk_Statements(EU): R38
HS_Code: 2932999099
Safety_Statements: S26-S36/37/39

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