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Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 8-Theophyllineacetic acid
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5439-51-0

5439-51-0 structure

5439-51-0 structure

Name: 8-Theophyllineacetic acid
Chemical Name: 2-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)acetic acid
CAS Number: 5439-51-0
Molecular Formula: C₉H₁₀N₄O₄
Molecular Weight: 238.20000
Create Date: 2016-01-12 21:44:30
Modify Date: 2024-09-30 15:45:47

Name	2-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)acetic acid
Synonyms	theophylline-acetic acid Theophylline-8-acetic acid 8-Theophyllineacetic acid 8-carboxymethyltheophylline

Density	1.584g/cm3
Boiling Point	606.8ºC at 760 mmHg
Molecular Formula	C₉H₁₀N₄O₄
Molecular Weight	238.20000
Flash Point	320.8ºC
Exact Mass	238.07000
PSA	109.98000
Index of Refraction	1.641

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XH3854000

CHEMICAL NAME :: Theophylline-8-acetic acid

CAS REGISTRY NUMBER :: 5439-51-0

BEILSTEIN REFERENCE NO. :: 0264650

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C9-H10-N4-O4

MOLECULAR WEIGHT :: 238.23

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 320 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#04360

HS Code	2933990090

5463-54-7 structure

5463-54-7

7440-44-0 structure

7440-44-0

~24%

5439-51-0 structure

5439-51-0

Literature: Abbott Laboratories Patent: US4451652 A1, 1984 ;

Precursor 2
5463-54-7 7440-44-0
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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