Theophylline CAS NO.58-55-9

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