Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: Xanthine, 8-butyl-1,3-dimethyl-
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Purity: 98.0%
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35873-40-6

35873-40-6 structure

35873-40-6 structure

Name: Xanthine, 8-butyl-1,3-dimethyl-
Chemical Name: 8-butyl-1,3-dimethyl-7H-purine-2,6-dione
CAS Number: 35873-40-6
Molecular Formula: C₁₁H₁₆N₄O₂
Molecular Weight: 236.27000
Create Date: 2017-02-21 04:03:22
Modify Date: 2024-01-04 08:31:12

Name	8-butyl-1,3-dimethyl-7H-purine-2,6-dione
Synonyms	8-Butyltheophylline Theophylline,8-butyl 8-butyl-1,3-dimethyl-3,7(9)-dihydro-purine-2,6-dione 8-n-butyl-1,3-dimethylxanthine 8-Butyl-1,3-dimethyl-1,2,3,6-tetrahydro-2,6-dioxopurine Xanthine,8-butyl-1,3-dimethyl 8-Butyl-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione 8-butyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione 8-Butyl-theophyllin 8-Butyl-1,3-dimethyl-3,7-dihydro-purin-2,6-dion

Density	1.251g/cm3
Boiling Point	468.6ºC at 760 mmHg
Molecular Formula	C₁₁H₁₆N₄O₂
Molecular Weight	236.27000
Flash Point	237.2ºC
Exact Mass	236.12700
PSA	72.68000
LogP	0.30290
Index of Refraction	1.57

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XH5000000

CHEMICAL NAME :: Theophylline, 8-butyl-

CAS REGISTRY NUMBER :: 35873-40-6

BEILSTEIN REFERENCE NO. :: 0235783

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C11-H16-N4-O2

MOLECULAR WEIGHT :: 236.31

WISWESSER LINE NOTATION :: T56 BM DN FNVNVJ C4 F1 H1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 250 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 14,1202,1971

HS Code	2933990090

100052-09-3 structure

100052-09-3

~94%

35873-40-6 structure

35873-40-6

Literature: Takeda Chemical Industries, Ltd. Patent: EP430300 A2, 1991 ; EP 0430300 A2

143148-38-3 structure

143148-38-3

~%

35873-40-6 structure

35873-40-6

Literature: Donat; Carstens Chemische Berichte, 1959 , vol. 92, p. 1500,1502

Precursor 1
100052-09-3
DownStream 0

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%