1H-Purine-2,6-dione, 8-[ (4-chlorophenyl)amino]-3,7-dihydro-1,3-dimethyl-

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Names

[ CAS No. ]:
5434-62-8

[ Name ]:
1H-Purine-2,6-dione, 8-[ (4-chlorophenyl)amino]-3,7-dihydro-1,3-dimethyl-

Chemical & Physical Properties

[ Density]:
1.521g/cm3

[ Boiling Point ]:
537.7ºC at 760 mmHg

[ Molecular Formula ]:
C13H12ClN5O2

[ Molecular Weight ]:
305.72000

[ Flash Point ]:
279ºC

[ Exact Mass ]:
305.06800

[ PSA ]:
84.71000

[ LogP ]:
1.43030

[ Index of Refraction ]:
1.697

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH5066000
CHEMICAL NAME :
Theophylline, 8-(p-chloroanilino)-
CAS REGISTRY NUMBER :
5434-62-8
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H12-Cl-N5-O2
MOLECULAR WEIGHT :
305.75
WISWESSER LINE NOTATION :
T56 BM DN FNVNVJ CMR DG& 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#04370

Safety Information

[ HS Code ]:
2933990090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 6-Amino-1,3-dimethyluracil
  • chloride of 1,3-dimethyl-4-amino-5-(chloromethine-N,N-dimethyliminium)uracil

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%

Related Compounds

  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide
  • N-[3-(Aminooxy)propyl]-N-butyl-1-butanamine