Chinese name: theophylline
English name: Theophylline
CAS: 58-55-9
EINECS number: 200-385-7
Molecular formula: C7H8N4O2
MDL number: MFCD00079619
Molecular weight: 180.16
Appearance: white crystal or crystalline powder, odorless, bitter taste. Mp270-274 ° C. Soluble in water (1:120), ethanol (1:18), chloroform (1:86), lye hydroxide, ammonia, dilute hydrochloric acid and dilute nitric acid at room temperature, slightly soluble in ether. Moderately toxic, LD50(rat, oral)300mg/kg.
Melting point: 271-273 °C
Melting point: 271-273 °C
Boiling point: 312.97°C (rough estimate)
Density: 1.3640 (rough estimate)
Refractive index: 1.6700 (estimate)
Flash point: 11 °C
Storage conditions: 2-8°C
Storage conditions: 2-8°C
Solubility: 0.1M HCl: soluble
Solubility soluble in: 0.1MHCl
Acidity coefficient (pKa) : 8.77(at 25℃)
Form: powder
Color: white
Water solubility: 8.3g /L (20 ºC)
Merck: 14,9285
Merck: 9285
BRN: 13463
BCS: Class3,1
Stability: Stable. Incompatible with strong oxidants.
InChIKey: ZFXYFBGIUFBOJW-UHFFFAOYSA-N
LogP: -0.020
use
Used as a pharmaceutical intermediate