Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: CAFFEINE, 8-BENZYL-
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
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5426-88-0

5426-88-0 structure

Name: CAFFEINE, 8-BENZYL-
Chemical Name: 8-benzyl-1,3,7-trimethylpurine-2,6-dione
CAS Number: 5426-88-0
Molecular Formula: C₁₅H₁₆N₄O₂
Molecular Weight: 284.31300
Create Date: 2017-07-11 13:12:47
Modify Date: 2024-01-12 12:50:16

Name	8-benzyl-1,3,7-trimethylpurine-2,6-dione
Synonyms	8-Benzyl-3,7-dihydro-1,3,7-trimethyl-1H-purin-2,6-dion 8-Benzyl-1,3,7-trimethyl-3,7-dihydro-purin-2,6-dion 8-benzyl-1,3,7-trimethyl-3,7-dihydro-purine-2,6-dione 8-Benzyl-caffeine CAFFEINE,8-BENZYL

Density	1.3g/cm3
Boiling Point	516.1ºC at 760 mmHg
Molecular Formula	C₁₅H₁₆N₄O₂
Molecular Weight	284.31300
Flash Point	265.9ºC
Exact Mass	284.12700
PSA	61.82000
LogP	0.56150
Index of Refraction	1.657

CHEMICAL IDENTIFICATION

RTECS NUMBER :: EV6490000

CHEMICAL NAME :: Caffeine, 8-benzyl-

CAS REGISTRY NUMBER :: 5426-88-0

BEILSTEIN REFERENCE NO. :: 0298246

LAST UPDATED :: 199612

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C15-H16-N4-O2

MOLECULAR WEIGHT :: 284.35

WISWESSER LINE NOTATION :: T56 BN DN FNVNVJ B1 C1R& F1 H1

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 :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 56 mg/kg

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

REFERENCE :: CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#04361

HS Code	2933990090

2879-15-4

74-88-4

5426-88-0

Literature: Pretorius, Judey; Malan, Sarel F.; Castagnoli Jr., Neal; Bergh, Jacobus J.; Petzer, Jacobus P. Bioorganic and Medicinal Chemistry, 2008 , vol. 16, # 18 p. 8676 - 8684

58-08-2

886-65-7

~15%

5426-88-0

79246-59-6

Detail

Literature: Kaupp, Gerd; Grueter, Heinz-Willi Chemische Berichte, 1981 , vol. 114, # 8 p. 2844 - 2858

2879-15-4

77-78-1

5426-88-0

Literature: Kostolansky et al. Chemicke Zvesti, 1956 , vol. 10, p. 96,106 Chem.Abstr., 1956 , p. 13 947 Full Text Show Details Hager et al. Journal of the American Pharmaceutical Association (1912-1977), 1954 , vol. 43, p. 152,154

103-30-0

58-08-2

~4%

6439-88-9

5426-88-0

Detail

Literature: Kaupp, Gerd; Grueter, Heinz-Willi Angewandte Chemie, 1980 , vol. 92, # 9 p. 735 - 737

186581-53-3

5426-88-0

Literature: Cook; Thomas Journal of the Chemical Society, 1950 , p. 1884,1886

5417-22-1

5426-88-0

Literature: Kostolansky et al. Chemicke Zvesti, 1956 , vol. 10, p. 96,106 Chem.Abstr., 1956 , p. 13 947

58-08-2

886-65-7

~15%

5426-88-0

79246-59-6

Detail

Literature: Kaupp, Gerd; Grueter, Heinz-Willi Chemische Berichte, 1981 , vol. 114, # 8 p. 2844 - 2858

103-30-0

58-08-2

~4%

6439-88-9

5426-88-0

Detail

Literature: Kaupp, Gerd; Grueter, Heinz-Willi Angewandte Chemie, 1980 , vol. 92, # 9 p. 735 - 737

103-30-0

58-08-2

6439-88-9

5426-88-0

Detail

Literature: Kaupp, Gerd; Grueter, Heinz-Willi Chemische Berichte, 1981 , vol. 114, # 8 p. 2844 - 2858

Precursor 8
2879-15-4 74-88-4 58-08-2 886-65-7
77-78-1 103-30-0 186581-53-3 5417-22-1
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%

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