8-(o-Chlorophenylamino)theophylline

Modify Date: 2025-08-25 12:04:37

8-(o-Chlorophenylamino)theophylline Structure
8-(o-Chlorophenylamino)theophylline structure
 Common Name 8-(o-Chlorophenylamino)theophylline
CAS Number 5429-34-5 Molecular Weight 305.72000
Density 1.521g/cm3 Boiling Point 532.4ºC at 760 mmHg
Molecular Formula C13H12ClN5O2 Melting Point N/A
MSDS N/A Flash Point 275.8ºC

 Names

Name 8-(2-chloroanilino)-1,3-dimethyl-7H-purine-2,6-dione

 Chemical & Physical Properties

Density 1.521g/cm3
Boiling Point 532.4ºC at 760 mmHg
Molecular Formula C13H12ClN5O2
Molecular Weight 305.72000
Flash Point 275.8ºC
Exact Mass 305.06800
PSA 84.71000
LogP 1.43030
Index of Refraction 1.697

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH5065000
CHEMICAL NAME :
Theophylline, 8-(o-chloroanilino)-
CAS REGISTRY NUMBER :
5429-34-5
LAST UPDATED :
197901
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H12-Cl-N5-O2
MOLECULAR WEIGHT :
305.75
WISWESSER LINE NOTATION :
T56 BM DN FNVNVJ CMR BG& F1 H1

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 :
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#04357
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