8-(o-Chlorophenylamino)theophylline

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Names

[ CAS No. ]:
5429-34-5

[ Name ]:
8-(o-Chlorophenylamino)theophylline

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

Related Compounds

  • 8-O-β-D-glucopyranosyl-(R)-(+)-3,4,8-trihydroxymethyl phenylpropionate
  • 8-O-trans-p-coumaroylharpagide
  • 8-O-(alpha-Arabinofuranosyl)-beta-peltatin A
  • Aconitane-3,8,13,14,15-pentol,20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-,14-(4-methoxybenzoate) 8-(9,12-octadecadienaote),(1alpha,3alpha,6alpha,8(9Z,12Z),14alpha,15alpha,16beta)
  • 8-O-methyltorosachrysone
  • 8-O-ethyl 2-O-methyl 7-oxofuro[2,3-f]chromene-2,8-dicarboxylate
  • 7-(Aminomethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
  • {2-Methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}methanamine
  • 4-Methyl-2,3,5,7,11-pentaazatricyclo[7.4.0.0,2,6]trideca-1(9),3,5,7-tetraene
  • 3-{2-Methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}piperidine
  • {3,7,8,10-Tetraazatricyclo[7.4.0.0,2,7]trideca-1,3,5,8,10,12-hexaen-6-yl}methanamine
  • {11-Methyl-3,7,8,10-tetraazatricyclo[7.4.0.0,2,7]trideca-1,3,5,8,10,12-hexaen-6-yl}methanamine
  • 2,3,7,11-Tetraazatricyclo[7.4.0.0,2,6]trideca-1(9),3,5,7-tetraene
  • [2-(2,2-Dimethylpropyl)pyrazolo[1,5-a]pyrimidin-7-yl]methanamine
  • {2-Cyclopentylpyrazolo[1,5-a]pyrimidin-7-yl}methanamine
  • {3-Ethylpyrazolo[1,5-a]pyrimidin-7-yl}methanamine
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