8-BROMO-7-(2,3-DIHYDROXYPROPYL)-1,3-DIMETHYL-2,3,6,7-TETRAHYDRO-1H-2,6-PURINEDIONE

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Names

[ CAS No. ]:
111038-24-5

[ Name ]:
8-BROMO-7-(2,3-DIHYDROXYPROPYL)-1,3-DIMETHYL-2,3,6,7-TETRAHYDRO-1H-2,6-PURINEDIONE

Chemical & Physical Properties

[ Density]:
1.91g/cm3

[ Boiling Point ]:
603.7ºC at 760mmHg

[ Molecular Formula ]:
C10H13BrN4O4

[ Molecular Weight ]:
333.13900

[ Flash Point ]:
318.9ºC

[ Exact Mass ]:
332.01200

[ PSA ]:
102.28000

[ Vapour Pressure ]:
2.01E-15mmHg at 25°C

[ Index of Refraction ]:
1.726

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UO8412550
CHEMICAL NAME :
1H-Purine-2,6-dione, 3,7-dihydro-8-bromo-7-(2,3-dihydroxypropyl)-1,3-dimet hyl-
CAS REGISTRY NUMBER :
111038-24-5
BEILSTEIN REFERENCE NO. :
0309839
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C10-H13-Br-N4-O4
MOLECULAR WEIGHT :
333.18

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1330 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 21,338,1987

Safety Information

[ HS Code ]:
2933990090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 8-Bromotheophylline
  • Glycidol
  • 3-Chloro-1,2-propanediol

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

  • Pyridinium, 1-[2-hydroxy-1-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-propen-1-yl]-, inner salt
  • 2-{[(Tert-butoxy)carbonyl]amino}-3-(3-fluoro-4-hydroxy-5-nitrophenyl)propanoic acid
  • 2-(3-Ethyl-1-nitrosopiperidin-4-yl)acetic acid
  • tert-butyl N-(6-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)carbamate
  • rel-(3R,4R,5R)-5-[(1-Carboxyethenyl)oxy]-3,4-dihydroxy-1-cyclohexene-1-carboxylic acid
  • [2,2-Difluoro-1-(3-methyl-4-nitrophenyl)cyclopropyl]methanamine
  • {2-[3-(Methoxymethyl)furan-2-yl]ethyl}(methyl)amine
  • 3-{[5-Chloro-2-(difluoromethoxy)phenyl]methyl}azetidine
  • tert-butyl N-{2-[(2-hydroxy-2-methylpropyl)sulfanyl]ethyl}carbamate
  • 2-(2-Chloro-5-nitrophenyl)-2-methoxypropan-1-amine
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