Theophylline


Catalog No:   FT-0631259

CAS No:   58-55-9

  • Molecular Formula:  180.16
  • Formula Weight: C7H8N4O2
  • Inchl Key: ZFXYFBGIUFBOJW-UHFFFAOYSA-N
  • Inchl: InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)

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: GHS06
CAS: 58-55-9
Flash_Point: 228.4±26.5 °C
Product_Name: Theophylline
Bolling_Point: 454.1±37.0 °C at 760 mmHg
FW: 180.164
Melting_Point: 271-273 °C
MF: C7H8N4O2
Density: 1.5±0.1 g/cm3
Refractive_Index: 1.620
Vapor_Pressure: 0.0±1.1 mmHg at 25°C
Flash_Point: 228.4±26.5 °C
LogP: -0.17
Bolling_Point: 454.1±37.0 °C at 760 mmHg
Water_Solubility: 8.3 g/L (20 ºC)
FW: 180.164
PSA: 72.68000
Computational_Chemistry: ['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :4 ', '6. TPSA 693 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :267 ', '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: 271-273 °C
MF: C7H8N4O2
Exact_Mass: 180.064728
Molecular_Structure: ['1 . Molar refractive index 4314 ', '2 . Molar volume (m3/mol)1229 ', '3 . Parachor (902K)3524 ', '4 . Surface tension 676 ', '5 . Polarizability (10<st1:chmetcnv tcsc="0" numbertype="1" negative="Tru']
Density: 1.5±0.1 g/cm3
More_Info: ['1 . Appearance White 结晶。无气味。味苦。 ', '2 . Density(g/mL,25/4℃) Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)270~274℃(一Water 合物) ', '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 1g Product Soluble in 120mlWater 80ml Ethanol 约110ml氯仿,Soluble in 热Water 氢氧化碱溶液氨Water 稀盐酸and 稀硝酸,微Soluble in Ethyl ether 。']
Symbol: GHS06
RIDADR: UN 2811 6.1/PG 3
HS_Code: 2939590000
Packing_Group: III
Hazard_Class: 6.1(b)
Risk_Statements(EU): R22
WGK_Germany: 1
Personal_Protective_Equipment: dust mask type N95 (US);Eyeshields;Faceshields;Gloves
RTECS: XH3850000
Hazard_Codes: Xn:Harmful
Warning_Statement: P301 + P310
Safety_Statements: H301

Related Products