8-Theophyllineacetic acid
Names
[ CAS No. ]:
5439-51-0
[ Name ]:
8-Theophyllineacetic acid
[Synonym ]:
theophylline-acetic acid
Theophylline-8-acetic acid
8-Theophyllineacetic acid
8-carboxymethyltheophylline
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
Precursor & DownStream
Precursor
DownStream
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%