Theophylline 58-55-9 98%
Theophylline Chemical Properties
Melting point 271-273 °C
Boiling point 312.97°C (rough estimate)
density 1.3640 (rough estimate)
refractive index 1.6700 (estimate)
Fp 11 °C
storage temp. 2-8°C
solubility 0.1 M HCl: soluble
pka 8.77(at 25℃)
form powder
color white
Water Solubility 8.3 g/L (20 ºC)
Merck 14,9285
BRN 13463
Stability: Stable. Incompatible with strong oxidizing agents.
InChIKey ZFXYFBGIUFBOJW-UHFFFAOYSA-N
CAS DataBase Reference 58-55-9(CAS DataBase Reference)
IARC 3 (Vol. 51) 1991
NIST Chemistry Reference 1,3-Dimethylxanthine(58-55-9)
EPA Substance Registry System Theophylline (58-55-9)
Theophylline Basic information
Product Name: Theophylline
Synonyms: 1,3-Dimethyl-3,7-dihydro-1H-purine-2,6-dione;1,3-dimethyl-xanthin;1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-;3,7-dihydro-1,3-dimethyl-1h-purine-6-dione;3h)-dione,1,3-dimethyl-purine-6(1h;6-dione,3,7-dihydro-1,3-dimethyl-1H-Purine-2;accurbron;Acet-theocin
CAS: 58-55-9
MF: C7H8N4O2
MW: 180.16
EINECS: 200-385-7
Mol File: 58-55-9.mol
Safety Information
Hazard Codes Xn,T,F,Xi
Risk Statements 22-39/23/24/25-23/24/25-11-36/37/38
Safety Statements 7-16-36/37-45-36-26-24/25
RIDADR UN 2811 6.1/PG 3
WGK Germany 1
RTECS XH3850000
F 10-23
TSCA Yes
HazardClass 6.1(b)
PackingGroup III
HS Code 29395900
Hazardous Substances Data 58-55-9(Hazardous Substances Data)
Toxicity LD50 oral in rabbit: 350mg/kg
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