Basic information
- CAS
15018-59-4- Standard SMILES
Cc1c(Br)c(=O)n(C)c(=O)n1C- InChIKey
RJNYZLOAGXCCHJ-UHFFFAOYSA-N- Molecular formula
- C7H9BrN2O2
- Average molar mass
- 233.06 g/mol
- Monoisotopic mass
- 231.98474
Overview
structure in first source
Names & identifiers
- Preferred name
- 5-Bromo-1,3,6-trimethyl-2,4(1H,3H)-pyrimidinedione
- IUPAC
- 5-bromo-1,3,6-trimethylpyrimidine-2,4-dione
- English name
- 1,3,6-TRIMETHYL-5-BROMOURACIL
- Molecular formula
- C7H9BrN2O2
- Molecular weight
- 233.06
Names & synonyms
15018-59-45-Bromo-1,3,6-trimethyluracilDTXSID701644865-Bromo-1,3,6-trimethyl-2,4(1H,3H)-pyrimidinedioneRefChem:913272DTXCID00869775-Bromo-1,3,6-trimethylpyrimidine-2,4(1H,3H)-dione5-bromo-1,3,6-trimethylpyrimidine-2,4-dione2,4(1H,3H)-Pyrimidinedione, 5-bromo-1,3,6-trimethyl-MFCD011509131,3,6-TRIMETHYL-5-BROMOURACIL5-bromo-1,3,6-trimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
Show more names
CHEMBRDG-BB 40136555-bromo-1,3,6-trimethyl-pyrimidine-2,4-dione5-bromo-1,3,6-trimethyl-pyrimidine-2,4-quinone
Uracil, 5-bromo-1,3,6-trimethyl-BRN 0144941CBiol_0001965-BROMO-1,3,6-TRIMETHYLPYRIMIDINE-2,4(1H2,4(1H,3H)-Pyrimidinedione,5-bromo-1,3,6-trimethyl-CHEMBL4935238SCHEMBL12169061ALBB-019871
Database identifiers
- CAS
15018-59-4- PubChem CID
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 285
Physicochemical properties
- Melting point
- 136 · 136-137 °C
- Boiling point
- 254.5 · 254.5±50.0 °C(Predicted)
- Density
- 1.605 · 1.605±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- -3.78 · -3.78±0.60(Predicted)
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 305 · P305+P351+P338
- Risk Statements
- 36 · 36
- Safety Statements
- 26 · 26
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26
- Hazard statements
- H302-H319
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Suppliers19 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
杭州辅润医药科技有限公司15658004993 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
杭州六可生物科技有限公司+86-0571-86912261 +86-15658003402 · [email protected]
江西弗莱医药科技有限公司15870833005 · [email protected]
上海昂提生物科技有限公司13764913901 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
上海特伯化学科技有限公司021-58170097 · [email protected]
上海凌凯科技股份有限公司021-58950110 13124863828 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
南京阿斯法姆医药科技有限公司02558867862; 18751812725 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
山西诺诚生物科技有限公司17835231871 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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