5-bromo-1,3,6-trimethylpyrimidine-2,4(1H,3H)-dione
Names
[ CAS No. ]:
15018-59-4
[ Name ]:
5-bromo-1,3,6-trimethylpyrimidine-2,4(1H,3H)-dione
[Synonym ]:
5-bromo-1,3,6-trimethyl-1H-pyrimidine-2,4-dione
2,4(1H,3H)-Pyrimidinedione,5-bromo-1,3,6-trimethyl
Uracil,5-bromo-1,3,6-trimethyl
5-Brom-1,3,6-trimethyl-1H-pyrimidin-2,4-dion
5-Bromo-1,3,6-trimethyluracil
1,3,6-Trimethyl-5-brom-uracil
5-Brom-1,3,6-trimethyl-uracil
5-bromo-1,3,6-trimethylpyrimidine-2,4(1H,3H)-dione
Chemical & Physical Properties
[ Density]:
1.605g/cm3
[ Boiling Point ]:
254.5ºC at 760mmHg
[ Molecular Formula ]:
C7H9BrN2O2
[ Molecular Weight ]:
233.06300
[ Flash Point ]:
107.7ºC
[ Exact Mass ]:
231.98500
[ PSA ]:
44.00000
[ LogP ]:
0.15490
[ Vapour Pressure ]:
0.0172mmHg at 25°C
[ Index of Refraction ]:
1.565
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- YQ9300000
- CHEMICAL NAME :
- Uracil, 5-bromo-1,3,6-trimethyl-
- CAS REGISTRY NUMBER :
- 15018-59-4
- BEILSTEIN REFERENCE NO. :
- 0144941
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C7-H9-Br-N2-O2
- MOLECULAR WEIGHT :
- 233.09
- WISWESSER LINE NOTATION :
- T6NVNVJ A1 C1 EE F1
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 :
- 252 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 15,471,1972
Safety Information
[ Symbol ]:
GHS07
[ Signal Word ]:
Warning
[ Hazard Statements ]:
H302-H319
[ Precautionary Statements ]:
P305 + P351 + P338
[ RIDADR ]:
NONH for all modes of transport
[ HS Code ]:
2933599090
Synthetic Route
Precursor & DownStream
Precursor
DownStream
Customs
[ HS Code ]: 2933599090
[ Summary ]:
2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
Articles
Bioorg. Med. Chem. 3(7) , 891-7, (1995)
Reaction of 5-Bromo-1,3,6-trimethyluracil (1) with alkylthiolate (propane-1-, toluene-alpha-, allyl-, etc.) ions under phase transfer catalytic conditions follows nucleophilic substitution and X-phili...