Theophylline-7-acetic acid


Catalog No:   FT-0632754

CAS No:   652-37-9

  • Molecular Formula:  238.200
  • Formula Weight: C9H10N4O4

Assay Pack Price Stock Action
98% 1g N/A N/A
98% 5g N/A N/A
98% Bulk Quantity N/A N/A
Product_Name: Acefylline
Flash_Point: 289.9±31.8 °C
Melting_Point: 270-272 °C
FW: 238.200
Density: 1.6±0.1 g/cm3
CAS: 652-37-9
Bolling_Point: 555.7±56.0 °C at 760 mmHg
MF: C9H10N4O4
Molecular_Structure: ['1 . Molar refractive index 5688 ', '2 . Molar volume (m3/mol)1450 ', '3 . Parachor (902K)4220 ', '4 . Surface tension 717 ', '5 . Polarizability 2254']
Flash_Point: 289.9±31.8 °C
Refractive_Index: 1.714
FW: 238.200
Density: 1.6±0.1 g/cm3
Bolling_Point: 555.7±56.0 °C at 760 mmHg
Computational_Chemistry: ['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 957 ', '7. Heavy Atom Count :17 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :385 ', '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']
LogP: -0.49
Melting_Point: 270-272 °C
PSA: 99.12000
MF: C9H10N4O4
More_Info: ['1 . Appearance 晶体。 ', '2 . Density(g/mL,25/4℃)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)264-268 ', '5 . Boiling point(ºC,Atmospheric pressure)Unknow ', '6 . Boiling point(ºC,52kPa)Unknow ', '7 . Refractive index Unknow ', '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 可Soluble in Water 。']
Vapor_Pressure: 0.0±1.6 mmHg at 25°C
Exact_Mass: 238.070206
Hazard_Codes: Xi:Irritant;
RTECS: UO7451300
Risk_Statements(EU): R36/37/38
WGK_Germany: 2
Safety_Statements: S26-S36

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