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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