8-Theophyllineacetic acid

Modify Date: 2024-09-30 15:45:47

8-Theophyllineacetic acid Structure
8-Theophyllineacetic acid structure
Common Name 8-Theophyllineacetic acid
CAS Number 5439-51-0 Molecular Weight 238.20000
Density 1.584g/cm3 Boiling Point 606.8ºC at 760 mmHg
Molecular Formula C9H10N4O4 Melting Point N/A
MSDS N/A Flash Point 320.8ºC

 Names

Name 2-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)acetic acid
Synonym More Synonyms

 Chemical & Physical Properties

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

 Toxicological Information

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

 Safety Information

HS Code 2933990090

 Synthetic Route

~24%

8-Theophyllineacetic acid Structure

8-Theophyllinea...

CAS#:5439-51-0

Literature: Abbott Laboratories Patent: US4451652 A1, 1984 ;

 Precursor & DownStream

Precursor  2

DownStream  0

 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%

 Synonyms

theophylline-acetic acid
Theophylline-8-acetic acid
8-Theophyllineacetic acid
8-carboxymethyltheophylline
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