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8-benzyltheophylline

Names

[ CAS No. ]:
2879-15-4

[ Name ]:
8-benzyltheophylline

[Synonym ]:
1,3-Dimethyl-8-benzyl-xanthin
MFCD00067027
8-benzyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
8-benzyl-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione
Theophylline,8-benzyl
EINECS 220-725-8
1H-Purine-2,6-dione,3,7-dihydro-1,3-dimethyl-8-(phenylmethyl)
8-Benzyltheophylline
8-Benzyl-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
8-benzytheophylline
8-Benzyl-1,3-dimethyl-3,7-dihydro-purin-2,6-dion

Chemical & Physical Properties

[ Density]:
1.335 g/cm3

[ Boiling Point ]:
556.5ºC

[ Melting Point ]:
298-300ºC

[ Molecular Formula ]:
C14H14N4O2

[ Molecular Weight ]:
270.28700

[ Flash Point ]:
290.4ºC

[ Exact Mass ]:
270.11200

[ PSA ]:
72.68000

[ LogP ]:
0.55110

[ Vapour Pressure ]:
2.02E-12mmHg at 25°C

[ Index of Refraction ]:
1.635

[ Storage condition ]:
2-8℃

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH4791000
CHEMICAL NAME :
Theophylline, 8-benzyl-
CAS REGISTRY NUMBER :
2879-15-4
LAST UPDATED :
199409
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C14-H14-N4-O2
MOLECULAR WEIGHT :
270.32

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
300 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 42,36,1952

Safety Information

[ HS Code ]:
2933990090

Synthetic Route

Precursor & DownStream

Customs

[ HS Code ]: 2933990090

[ Summary ]:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%


Related Compounds