1-Chloro-2-fluoro-3-isocyanatobenzene (CAS: 69922-25-4) - Chemical Structure and Molecular Formula
1-Chloro-2-fluoro-3-isocyanatobenzene (CAS: 69922-25-4) - Chemical Structure Thumbnail

1-Chloro-2-fluoro-3-isocyanatobenzene

Catalog No:   FT-0679346

CAS No:   69922-25-4

  • Chemical Name:  1-Chloro-2-fluoro-3-isocyanatobenzene
  • Molecular Formula:  C7H3ClFNO
  • Molecular Weight:  171.55
  • InChI Key:  SPMPFFGBFMAFOO-UHFFFAOYSA-N
  • InChI:  InChI=1S/C7H3ClFNO/c8-5-2-1-3-6(7(5)9)10-4-11/h1-3H
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-Chloro-2-fluoro-3-isocyanatobenzene
Flash_Point: 198 °F
Melting_Point: N/A
FW: 171.55600
Density: 1.369 g/mL at 25ºC(lit.)
CAS: 69922-25-4
Bolling_Point: 185-186ºC(lit.)
MF: C7H3ClFNO
Density: 1.369 g/mL at 25ºC(lit.)
Computational_Chemistry: ['1. XlogP :35 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 294 ', '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 :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
Molecular_Structure: ['1 . Molar refractive index 4063 ', '2 . Molar volume 1308 ', '3 . Parachor （902K）3242 ', '4 . Surface tension 377 ', '5 . Polarizability 1610 ', '6 . Dielectric constant 未确定']
LogP: 2.44640
Flash_Point: 198 °F
Refractive_Index: n20/D 1.5380(lit.)
FW: 171.55600
PSA: 29.43000
MF: C7H3ClFNO
Bolling_Point: 185-186ºC(lit.)
Exact_Mass: 170.98900
Hazard_Codes: Xi
Risk_Statements(EU): 36/37/38
HS_Code: 2929109000
Safety_Statements: 26-36

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