CAFFEINE, 8-BENZYL-
Names
[ CAS No. ]:
5426-88-0
[ Name ]:
CAFFEINE, 8-BENZYL-
[Synonym ]:
8-Benzyl-3,7-dihydro-1,3,7-trimethyl-1H-purin-2,6-dion
8-Benzyl-1,3,7-trimethyl-3,7-dihydro-purin-2,6-dion
8-benzyl-1,3,7-trimethyl-3,7-dihydro-purine-2,6-dione
8-Benzyl-caffeine
CAFFEINE,8-BENZYL
Chemical & Physical Properties
[ Density]:
1.3g/cm3
[ Boiling Point ]:
516.1ºC at 760 mmHg
[ Molecular Formula ]:
C15H16N4O2
[ Molecular Weight ]:
284.31300
[ Flash Point ]:
265.9ºC
[ Exact Mass ]:
284.12700
[ PSA ]:
61.82000
[ LogP ]:
0.56150
[ Index of Refraction ]:
1.657
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- EV6490000
- CHEMICAL NAME :
- Caffeine, 8-benzyl-
- CAS REGISTRY NUMBER :
- 5426-88-0
- BEILSTEIN REFERENCE NO. :
- 0298246
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C15-H16-N4-O2
- MOLECULAR WEIGHT :
- 284.35
- WISWESSER LINE NOTATION :
- T56 BN DN FNVNVJ B1 C1R& F1 H1
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 :
- 200 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: 43,152,1954
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 56 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#04361
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%