Shanghai Nianxing Industrial Co., Ltd
China
Product Name: 1,3-Dimethyl-8-phenylxanthinecrystalline
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Purity: 98.0%
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Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 1H-Purine-2,6-dione,3,9-dihydro-1,3-dimethyl-8-phenyl-
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
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961-45-5

961-45-5 structure

961-45-5 structure

Name: 8-PHENYLTHEOPHYLLINE
Chemical Name: 1,3-dimethyl-8-phenyl-7H-purine-2,6-dione
CAS Number: 961-45-5
Molecular Formula: C₁₃H₁₂N₄O₂
Molecular Weight: 256.26000
Catalog: Biochemical Plant extracts
Create Date: 2018-09-09 11:53:58
Modify Date: 2025-08-25 09:55:48

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

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

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

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 6
60228-89-9 618-39-3 21428-25-1 57196-69-7
50996-16-2 100-52-7
DownStream 1
6439-88-9

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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