Basic information
- CAS
1214344-68-9- Standard SMILES
Fc1ncc(C(F)(F)F)cn1- InChIKey
QEWJTWUFYSMONN-UHFFFAOYSA-N- Molecular formula
- C5H2F4N2
- Average molar mass
- 166.08 g/mol
- Monoisotopic mass
- 166.01541094
Names & identifiers
- Preferred name
- 2-Fluoro-5-(trifluoromethyl)pyrimidine
- IUPAC
- 2-fluoro-5-(trifluoromethyl)pyrimidine
- English name
- 2-fluoro-5-(trifluoroMethyl)pyriMidine
- Molecular formula
- C5H2F4N2
- Molecular weight
- 166.08
Names & synonyms
2-fluoro-5-(trifluoromethyl)pyrimidine1214344-68-9DTXSID90602138RefChem:260979DTXCID80552895807-670-0MFCD13185662SCHEMBL5675097SCHEMBL11287557AKOS017344325SB55769MS-20486
Show more names
Pyrimidine, 2-fluoro-5-(trifluoromethyl)-
DB-228061CS-0442529EN300-7291990
Database identifiers
- CAS
1214344-68-9- PubChem CID
- 20071885
- DTXSID
DTXSID90602138- EC Number
- 807-670-0
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 127
Physicochemical properties
- Boiling point
- 195.8 · 195.8±50.0 °C(Predicted)
- Density
- 1.461 · 1.461±0.06 g/cm3(Predicted)
- pka
- -3.54 · -3.54±0.22(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 319 · H319-H335-H301+H311-H315
- Precautionary statements
- 280 · P280-P304+P340-P361+P364
- HS Code
- 2933599590 · 2933599590
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (66.7%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (33.3%)
Safety data
- hs_code
- 2933599590
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H319-H335-H301+H311-H315
- Precautionary statements
- P280-P304+P340-P361+P364
Chemistry & industry
Applications
Uses2-Fluoro-5-trifluoromethylpyrimidine is an important intermediate in pharmaceutical synthesis, used to synthesize fused-ring dihydrofurans. These dihydrofurans can act as modulators of the G protein-coupled receptor GPR119, used to treat diabetes, obesity, and dyslipidemia. Furthermore, 2-fluoro-5-trifluoromethylpyrimidine can also serve as an intermediate in the synthesis of drugs for treating Alzheimer's disease and schizophrenia.
Suppliers19 total
宁波振岳医药科技有限公司19817745290 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
泰州市众致生物科技有限公司[email protected] 15066129350 · [email protected]
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
郑州九亿时光新材料有限公司+86-15225627621 +86-13213167925 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
淄博百极荣创医药科技有限公司0533-6092686 13371592196 · [email protected]
南京艾比克斯生化科技有限公司025-87193546 18652950785 · [email protected]
杭州澳立盛化学有限公司571-81727727 15267468089 · [email protected]
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
Shanghai Daken Advanced Materials Co.,Ltd+86-2158073036 · [email protected]
湖南秉航新材料有限公司0731-85567275 19313119732 · [email protected]
宁波振岳医药科技有限公司0086-19817745290; 19817745290 · [email protected]
湖北美索伦科技有限公司13419562052 13419562052 · [email protected]
上海杰股生物科技有限公司021-51698675 · [email protected]
Related reactions
2 records
Compound notes
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