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
(5E)-5-(3-Ethoxy-2-hydroxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one