5-bromo-1,3,6-trimethylpyrimidine-2,4(1H,3H)-dione

Names

[ 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

Click to get detail 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

Reactions of diazines with nucleophiles--IV. The reactivity of 5-bromo-1,3,6-trimethyluracil with thiolate ions--substitution versus X-philic versus single electron transfer reactions.

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...