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
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%