8-PHENYLTHEOPHYLLINE

Modify Date: 2024-01-10 18:33:12

8-PHENYLTHEOPHYLLINE Structure
8-PHENYLTHEOPHYLLINE structure
Common Name 8-PHENYLTHEOPHYLLINE
CAS Number 961-45-5 Molecular Weight 256.26000
Density 1.361g/cm3 Boiling Point 517.7ºC at 760mmHg
Molecular Formula C13H12N4O2 Melting Point >300ºC(lit.)
MSDS Chinese USA Flash Point 266.9ºC

 Names

Name 1,3-dimethyl-8-phenyl-7H-purine-2,6-dione
Synonym More Synonyms

 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

 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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 Synonyms

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