8-PHENYLTHEOPHYLLINE
Names
[ CAS No. ]:
961-45-5
[ Name ]:
8-PHENYLTHEOPHYLLINE
[Synonym ]:
1,3-dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione
Theophylline,8-phenyl
MFCD00005582
1H-Purine-2,6-dione,2,3,6,7-tetrahydro-1,3-dimethyl-8-phenyl
Lopac-P-2278
1,3-dimethyl-7-phenylxanthine
1,3-dimethyl-8-phenyl-3,7-dihydro-purine-2,6-dione
8-Phenyltheophylline
1,3-Dimethyl-8-phenylxanthine
1,3-dimethyl-8-phenyl-3,7-dihydro-1H-purine-2,6-dione
Chemical & Physical Properties
[ Density]:
1.361g/cm3
[ Boiling Point ]:
517.7ºC at 760mmHg
[ Melting Point ]:
>300ºC(lit.)
[ Molecular Formula ]:
C13H12N4O2
[ Molecular Weight ]:
256.26000
[ Flash Point ]:
266.9ºC
[ Exact Mass ]:
256.09600
[ PSA ]:
72.68000
[ LogP ]:
0.62730
[ Index of Refraction ]:
1.639
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- UO8445700
- CHEMICAL NAME :
- 1H-Purine-2,6-dione, 2,3,6,7-tetrahydro-1,3-dimethyl-8-phenyl-
- CAS REGISTRY NUMBER :
- 961-45-5
- LAST UPDATED :
- 199803
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C13-H12-N4-O2
- MOLECULAR WEIGHT :
- 256.29
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 :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 250 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
- REFERENCE :
- USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #5032593
Safety Information
[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
[ RIDADR ]:
NONH for all modes of transport
[ WGK Germany ]:
3
[ RTECS ]:
UO8445700
[ HS Code ]:
2933990090
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%
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