Basic information
- CAS
14248-01-2- Standard SMILES
Cn1cc(Br)cnc1=O- InChIKey
PTRMFRSWZCJCSP-UHFFFAOYSA-N- Molecular formula
- C5H5BrN2O
- Average molar mass
- 189.01 g/mol
- Monoisotopic mass
- 187.95853
Names & identifiers
- Preferred name
- 5-bromo-1-methylpyrimidin-2(1H)-one
- IUPAC
- 5-bromo-1-methylpyrimidin-2-one
- English name
- 5-broMo-1-MethylpyriMidin-2-one
- Molecular formula
- C5H5BrN2O
- Molecular weight
- 189.01
Names & synonyms
5-bromo-1-methylpyrimidin-2(1H)-one14248-01-25-bromo-1-methylpyrimidin-2-oneMFCD110441365-Bromo-1-methyl-2-pyrimidone5-bromo-1-methyl-pyrimidin-2-one2(1H)-Pyrimidinone, 5-bromo-1-methyl-NSC528731SCHEMBL21142235-bromo-1-methyl-1,2-dihydropyrimidin-2-oneDTXSID001620565-Bromo-1-methyl-2-pyrimidinone
Show more names
5-Bromo-1-methylpyrimidin-2(1H)5‐bromo‐1‐methyl‐1,2‐dihydropyrimidin‐2‐one
5-Bromo-1-mPTRMFRSWZCJCSP-UHFFFAOYSA-N5-bromo-1-methyl-2(1H)-pyrimidoneAKOS0063099542(1H)Pyrimidinone,5-bromo-1-methyl-5-Bromo-1-methyl-2(1H)-pyrimidinoneCS-W019692FS-3740
Database identifiers
- CAS
14248-01-2- PubChem CID
- 139707
- DTXSID
DTXSID00162056
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 197
Physicochemical properties
- Boiling point
- 215.9 · 215.9±50.0 °C(Predicted)
- Density
- 1.73 · 1.73±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 0.31 · 0.31±0.10(Predicted)
- Appearance
- Off-white to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- HS Code
- 2933599590 · 2933599590
Safety & regulation
Safety data
- hs_code
- 2933599590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers38 total
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
Aladdin Scientific[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]
Related reactions
4 records
Compound notes
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