Basic information
- CAS
116241-60-2- Standard SMILES
CC(C)(C)c1ccnc(F)c1- InChIKey
MRAIDGBWVXPHAL-UHFFFAOYSA-N- Molecular formula
- C9H12FN
- Average molar mass
- 153.2 g/mol
- Monoisotopic mass
- 153.09537755
Names & identifiers
- Preferred name
- 4-Tert-butyl-2-fluoropyridine
- IUPAC
- 4-tert-butyl-2-fluoropyridine
- English name
- Pyridine, 4-(1,1-dimethylethyl)-2-fluoro-
- Molecular formula
- C9H12FN
- Molecular weight
- 153.2
Names & synonyms
4-tert-butyl-2-fluoropyridine116241-60-24-(tert-butyl)-2-fluoropyridine4-(1,1-Dimethylethyl)-2-fluoropyridine4-tert-butyl-2-fluoro-pyridineMFCD18802491Pyridine, 4-(1,1-dimethylethyl)-2-fluoro-4-tert-butyl-2-fluoropuridine4-(t-Butyl)-2-fluoropyridineSCHEMBL6371369DTXSID301283987CS-44235
Show more names
F81836
Database identifiers
- CAS
116241-60-2- PubChem CID
- 14296366
- DTXSID
DTXSID301283987- EC Number
- 174-896-8
- Nikkaji
- J736.236F
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 128
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Boiling point
- 202.3 · 202.3±20.0 °C(Predicted)
- Density
- 0.997 · 0.997±0.06 g/cm3(Predicted)
- pka
- 0.28 · 0.28±0.10(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H227 (100%): Combustible liquid [Warning Flammable liquids]
P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 4 (100%)
Chemistry & industry
Suppliers19 total
宁波振岳医药科技有限公司19817745290 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
康姆芘法思（上海）生物科技有限公司021-65232103 17602124823 · [email protected]
北京伊诺凯科技有限公司15652467323 · [email protected]
上海凯睿生物科技有限公司021-5068 3667/17749785980/1029026415; 17749785980 · [email protected]
陕西沃品化工科技有限公司18792798662 · [email protected]
康姆芘法思（上海）生物科技有限公司021-65232103 17602124823 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
西安拓超生物科技有限公司029-88764766 · [email protected]
卓萃新材料科技（上海）有限公司021-52836897 13917661608 · [email protected]
西安孚晨生物科技有限公司13679166801 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Cochemical Co. Ltd.+86-029-86115547 +86-17791676824 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +8619957148339 · [email protected]
上海锐谱医药科技有限公司15895968936 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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