Astemizole


Catalog No:   FT-0622497

CAS No:   68844-77-9

  • Molecular Formula:  458.6
  • Formula Weight: C28H31FN4O
  • Inchl Key: GXDALQBWZGODGZ-UHFFFAOYSA-N
  • Inchl: InChI=1S/C28H31FN4O/c1-34-25-12-8-21(9-13-25)14-17-32-18-15-24(16-19-32)30-28-31-26-4-2-3-5-27(26)33(28)20-22-6-10-23(29)11-7-22/h2-13,24H,14-20H2,1H3,(H,30,31)

Assay Pack Price Stock Action
98% 1g N/A N/A
98% 5g N/A N/A
98% Bulk Quantity N/A N/A
Symbol: GHS07
CAS: 68844-77-9
Flash_Point: 333.2ºC
Product_Name: astemizole
Bolling_Point: 627.3ºC at 760 mmHg
FW: 458.57000
Melting_Point: 172.9ºC
MF: C28H31FN4O
Density: 1.2 g/cm3
Refractive_Index: 1.623
Flash_Point: 333.2ºC
LogP: 5.36220
Bolling_Point: 627.3ºC at 760 mmHg
PSA: 42.32000
Molecular_Structure: ['1 . Molar refractive index 13394 ', '2 . Molar volume 3798 ', '3 . Parachor (902K)9810 ', '4 . Surface tension 445 ', '5 . Polarizability 5309']
Computational_Chemistry: ['1. XlogP :6 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :8 ', '5. Isotope Atom Count :2 ', '6. TPSA 423 ', '7. Heavy Atom Count :34 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :599 ', '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']
Melting_Point: 172.9ºC
MF: C28H31FN4O
Exact_Mass: 458.24800
FW: 458.57000
Density: 1.2 g/cm3
More_Info: ['1 . Appearance White 结晶。 ', '2 . Density(g/mL,25/4℃)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)1729 ', '5 . Boiling point(ºC,Atmospheric pressure)Unknow ', '6 . Boiling point(ºC,52kPa)Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point(ºC)Unknow ', '9 . Specific rotation(º)Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '11 . Vapor pressure(kPa,25ºC)Unknow ', '12 . Saturated vapor pressure(kPa,60ºC)Unknow ', '13 . Combustion heat(KJ/mol)Unknow ', '14 . Critical temperature(ºC)Unknow ', '15 . Critical pressure(KPa)Unknow ', '16 . Oil-water(Octanol /Water )Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion(%,V/V)Unknow ', '18 . Lower limit of explosion(%,V/V)Unknow ', '19 . Solubility 几乎Insoluble in Water 。']
Symbol: GHS07
Risk_Statements(EU): R22;R36/37/38
HS_Code: 2933990090
WGK_Germany: 3
RTECS: DD8968000
RIDADR: UN 2811 6.1 / PGII
Hazard_Codes: Xn: Harmful;
Warning_Statement: P305 + P351 + P338
Safety_Statements: H315-H319-H335

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